4-[[1-oxidanylidene-4-(phenylcarbonyl)-2H-isoquinolin-3-yl]amino]benzoic acid

Systemtic Name: 4-[[1-oxidanylidene-4-(phenylcarbonyl)-2H-isoquinolin-3-yl]amino]benzoic acid Openeye Name: 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoic acid CAS Name: 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoic acid IUPAC Name: 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoic acid Traditional Name: 4-[(4-benzoyl-1-keto-2H-isoquinolin-3-yl)amino]benzoic acid Formula: C23H16N2O4 MolecularWeight: 384.38414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H16N2O4/c26-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)22(27)25-21(19)24-16-12-10-15(11-13-16)23(28)29/h1-13H,(H,28,29)(H2,24,25,27)