methyl 4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]benzoate

Systemtic Name: methyl 4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]benzoate Openeye Name: methyl 4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]benzoate CAS Name: 4-[(Z)-2-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)-2-cyanoethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]benzoate Traditional Name: 4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]benzoic acid methyl ester Formula: C21H15N5O2 MolecularWeight: 369.3761

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H15N5O2/c1-28-21(27)15-9-7-14(8-10-15)11-16(12-22)19-18(13-23)20(24)26(25-19)17-5-3-2-4-6-17/h2-11H,24H2,1H3/b16-11+