4-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(3E)-3-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]-3-nitro-benzonitrile CAS Name: 4-[(3E)-3-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]-3-nitrobenzonitrile IUPAC Name: 4-[(3E)-3-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]-3-nitrobenzonitrile Traditional Name: 4-[(5E)-5-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]-3-nitro-benzonitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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