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CHEBI:42685 - 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE

Default Structure
ChEBI IDCHEBI:42685
ChEBI Name3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H13N7
Net Charge0
Average Mass303.329
Monoisotopic Mass303.12324
SMILES[H]/C(=C(\C#N)c1nnn([H])n1)N([H])c1c([H])c([H])c(N([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C16H13N7/c17-10-12(16-20-22-23-21-16)11-18-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9,11,18-19H,(H,20,21,22,23)/b12-11-
InChIKeyFLPLCJJGNZGOAW-QXMHVHEDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE (CHEBI:42685) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2Z)-3-{[4-(phenylamino)phenyl]amino}-2-(2H-tetrazol-5-yl)prop-2-enenitrilePDBeChem
3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILEPDBeChem
Manual XrefsDatabases
FTAPDBeChem