4-[(3Z)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(3Z)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 4-[(3Z)-3-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 4-[(3Z)-3-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 4-[(3Z)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 4-[(5Z)-5-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-1-yl]benzonitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=CNN2C3=CC=C(C=C3)C#N)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C\2/C=CNN2C3=CC=C(C=C3)C#N)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c1-25-16-9-12(8-15(17(16)22)21(23)24)14-6-7-19-20(14)13-4-2-11(10-18)3-5-13/h2-9,19H,1H3/b14-12-