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

Systemtic Name: [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H19NO6/c1-16-6-10-18(11-7-16)21(26)12-8-17-9-13-22(23(14-17)30-2)31-24(27)19-4-3-5-20(15-19)25(28)29/h3-15H,1-2H3/b12-8+