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

Systemtic Name: [2-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [2-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]phenyl] ester Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H17NO5/c1-16-9-11-17(12-10-16)21(25)14-13-18-5-2-3-8-22(18)29-23(26)19-6-4-7-20(15-19)24(27)28/h2-15H,1H3/b14-13+