[1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 4-methylbenzoate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 4-methylbenzoate Openeye Name: [1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO5/c1-15-7-9-18(10-8-15)22(25)28-21(20(24)16-5-3-2-4-6-16)17-11-13-19(14-12-17)23(26)27/h2-14,21H,1H3