methyl 4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]-2-furyl]benzoic acid methyl ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O6/c1-29-22(26)15-7-5-14(6-8-15)20-10-9-19(30-20)12-17(13-23)21(25)16-3-2-4-18(11-16)24(27)28/h2-12H,1H3/b17-12+