5-nitroindole

← Back to consensus flows

UUID aeff3316-0b82-4373-aad7-2e69ae682e17

Deprecated yes

Replaced By 5cb08fc4-18a9-4ead-9c57-9c8a69fcb8f3

Flow Object ID fo-353fc7c8bacdbeac

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 6146-52-7

EC Numbers 228-153-0

prefLabel

Language	Value	Provenance
`en`	`5-nitroindole`

altLabel ⓘ

Language	Value	Provenance
`en`	`1<em>H</em>-Indole, 5-nitro-`
`en`	`5-Nitro-1<em>H</em>-indole`
`en`	`Indole, 5-nitro-`
`en`	`NSC 520594`

References

Shared Properties

Predicate	Value
InChIKey	`MWXCPUSYMMSJEN-UHFFFAOYSA-N, OZFPSOBLQZPIAV-UHFFFAOYSA-N, WRVJPQOJARXCBQ-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)19-10-7-14(8-11-19)20-12-6-13-5-4-9-18-15(13)20/h4-6,9,12,14H,7-8,10-11H2,1-3H3, InChI=1S/C19H21FN2O2/c1-24-19(23)16-7-8-18(17(20)13-16)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3, InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H`
IUPAC name	3-fluoro-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester, 4-(1-pyrrolo[2,3-b]pyridinyl)-1-piperidinecarboxylic acid tert-butyl ester, 4-(4-benzylpiperazino)-3-fluoro-benzoic acid methyl ester, 4-pyrrolo[2,3-b]pyridin-1-ylpiperidine-1-carboxylic acid tert-butyl ester, 5-nitro-1H-indole, methyl 3-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]benzoate, methyl 4-(4-benzylpiperazin-1-yl)-3-fluoro-benzoate, methyl 4-(4-benzylpiperazin-1-yl)-3-fluorobenzoate, tert-butyl 4-pyrrolo[2,3-b]pyridin-1-ylpiperidine-1-carboxylate
Molecular formula	`C17H23N3O2, C19H21FN2O2, C8H6N2O2`
SMILES	`C1=CC2=C(C=CN2)C=C1[N+](=O)[O-], CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC3=C2N=CC=C3, COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)F`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`aeff3316-0b82-4373-aad7-2e69ae682e17`	5-nitroindole

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=5-nitroindole\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=6146-52-7; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Indole, 5-nitro-, 5-Nitro-1<em>H</em>-indole, Indole, 5-nitro-, NSC 520594; object_uuid=fo-353fc7c8bacdbeac
`cas_match_labels`	1	`—`	consensus_match	group_key=5-nitroindole\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6146-52-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-353fc7c8bacdbeac: {'6146-52-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
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`cas_match_labels`	`None`	`{'6146-52-7': 'exactMatch'}`	group_key=5-nitroindole\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6146-52-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-353fc7c8bacdbeac: {'6146-52-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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