Methyl 4-nitrobenzoate

4-Methoxycarbonylnitrobenzene
4-Nitrobenzoic acid methyl ester
Benzoic acid, 4-nitro-, methyl ester
Benzoic acid, p-nitro-, methyl ester
Methyl p-nitrobenzoate
p-Carbomethoxynitrobenzene
p-Nitrobenzoic acid methyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YOJAHJGBFDPSDI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	Methyl 4-nitrobenzoate
Molecular formula chemrof:molecular_formula	C8H7NO4
Molecular mass chemrof:molecular_mass	181.147
Monoisotopic mass chemrof:monoisotopic_mass	181.037508
SMILES string chemrof:smiles_string	COC(=O)c1ccc([N+](=O)[O-])cc1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=619-50-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.637	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3022085	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4137	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3560114	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NMN8CTH864	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.038G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12083	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27284957	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2b7ab0fd-4404-4339-8937-5c5f80f5bf12	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9465352d-b8d2-4992-a481-8ebc3dedbade	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
15b87b48-387d-4365-9cc2-26389c120cc5	Environmental → Air → Indoor	EF 3.1	kg	2
b2cf2d47-fbb7-48f9-a52c-30968915b3eb	Environmental → Air → Long-term	EF 3.1	kg	0
73ba74d5-11d9-4940-b8f4-4edc3c466419	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d96653ba-4c0d-4d24-b47a-49257976c343	Environmental → Air → Unknown	EF 3.1	kg	2
c0b2eb99-b0f3-40aa-80ad-b0456b1a6946	Environmental → Ground → Agricultural	EF 3.1	kg	2
0bbc21fd-a9b9-424e-aeee-2aaa00e6450b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8e375df6-aaf9-45e3-9e27-ecd5184fe295	Environmental → Ground → Unknown	EF 3.1	kg	2
8cf250d1-3b52-4bba-9243-96740008f4a7	Environmental → Water → Long-term	EF 3.1	kg	0
08f2d125-0f1a-43ba-b833-fb305301ceec	Environmental → Water → Ocean	EF 3.1	kg	2
ffde8375-adda-4fd3-b7c5-af444de1f06e	Environmental → Water → Surface water	EF 3.1	kg	2
071a7949-3ed1-42f6-99f2-dc3a9e84e218	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
    {
      "@value": "4-Methoxycarbonylnitrobenzene",
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Methyl 4-nitrobenzoate

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