(3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(5-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(5-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(5-methoxy-2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(5-methoxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(5-methoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4-keto-5-methoxy-2-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3N2)C#N)C(=CC1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C\C(=C2NC3=CC=CC=C3N2)C#N)/C(=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c1-25-16-7-10(14(21(23)24)8-15(16)22)6-11(9-18)17-19-12-4-2-3-5-13(12)20-17/h2-8,19-20H,1H3/b10-6+