4-[[3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]amino]benzoic acid hydrochloride Openeye Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenyl-propyl]amino]benzoic acid hydrochloride CAS Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoic acid hydrochloride Traditional Name: 4-[[3-keto-3-(4-nitrophenyl)-1-phenyl-propyl]amino]benzoic acid hydrochloride Formula: C22H19ClN2O5 MolecularWeight: 426.84966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5.ClH/c25-21(16-8-12-19(13-9-16)24(28)29)14-20(15-4-2-1-3-5-15)23-18-10-6-17(7-11-18)22(26)27;/h1-13,20,23H,14H2,(H,26,27);1H