[4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O7/c1-26-17-10-12(9-14(11-20)18(22)27-2)3-8-16(17)28-19(23)13-4-6-15(7-5-13)21(24)25/h3-10H,1-2H3