benzoic acid; 1-(4-chlorophenyl)-3-[(4-nitrophenyl)amino]-3-phenyl-propan-1-one

Systemtic Name: benzoic acid; 1-(4-chlorophenyl)-3-[(4-nitrophenyl)amino]-3-phenyl-propan-1-one Openeye Name: benzoic acid; 1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenyl-propan-1-one CAS Name: benzoic acid; 1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenyl-1-propanone IUPAC Name: benzoic acid; 1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-one Traditional Name: benzoic acid; 1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenyl-propan-1-one Formula: C28H23ClN2O5 MolecularWeight: 502.94562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C21H17ClN2O3.C7H6O2/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27;8-7(9)6-4-2-1-3-5-6/h1-13,20,23H,14H2;1-5H,(H,8,9)