methyl (4E)-4-[(4-nitrophenyl)methylidene]-3-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: methyl (4E)-4-[(4-nitrophenyl)methylidene]-3-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: methyl (4E)-4-[(4-nitrophenyl)methylene]-3-oxo-cyclohexene-1-carboxylate CAS Name: (4E)-4-[(4-nitrophenyl)methylidene]-3-oxo-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[(4-nitrophenyl)methylidene]-3-oxocyclohexene-1-carboxylate Traditional Name: (4E)-3-keto-4-(4-nitrobenzylidene)cyclohexene-1-carboxylic acid methyl ester Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])CC1

Isomeric SMILES

COC(=O)C1=CC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/CC1

InChI

InChI=1S/C15H13NO5/c1-21-15(18)12-5-4-11(14(17)9-12)8-10-2-6-13(7-3-10)16(19)20/h2-3,6-9H,4-5H2,1H3/b11-8+