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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4-keto-3-methoxy-5-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=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C2NC3=CC=CC=C3N2)C#N)C=C(C1=O)[N+](=O)[O-]

InChI

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