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

Systemtic Name: [4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H16ClNO6 MolecularWeight: 437.82924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClNO6/c1-30-22-13-15(5-11-20(26)16-7-9-18(24)10-8-16)6-12-21(22)31-23(27)17-3-2-4-19(14-17)25(28)29/h2-14H,1H3/b11-5+