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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O7/c1-26-17-9-12(8-14(11-20)18(22)27-2)6-7-16(17)28-19(23)13-4-3-5-15(10-13)21(24)25/h3-10H,1-2H3/b14-8+