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

Systemtic Name: 4-[[3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]amino]benzoic acid Openeye Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenyl-propyl]amino]benzoic acid CAS Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoic acid Traditional Name: 4-[[3-keto-3-(4-nitrophenyl)-1-phenyl-propyl]amino]benzoic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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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

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

InChI

InChI=1S/C22H18N2O5/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)