ethyl (4E)-4-(2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl (4E)-4-(2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-cinnoline-3-carboxylate Openeye Name: ethyl (4E)-4-(2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-cinnoline-3-carboxylate CAS Name: (4E)-4-(2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-(2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-cinnoline-3-carboxylate Traditional Name: (4E)-4-(4-keto-2-nitro-cyclohexa-2,5-dien-1-ylidene)-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=CC=CC=C2C1=C3C=CC(=O)C=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C\1=NNC2=CC=CC=C2/C1=C\3/C=CC(=O)C=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-2-25-17(22)16-15(11-5-3-4-6-13(11)18-19-16)12-8-7-10(21)9-14(12)20(23)24/h3-9,18H,2H2,1H3/b15-12+