[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5/c1-15-11-12-18(13-16(15)2)21(25)22(17-7-4-3-5-8-17)29-23(26)19-9-6-10-20(14-19)24(27)28/h3-14,22H,1-2H3