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

Systemtic Name: 4-[(1-oxidanylidene-4-pyridin-4-ylcarbonyl-2H-isoquinolin-3-yl)amino]benzoic acid Openeye Name: 4-[[1-oxo-4-(pyridine-4-carbonyl)-2H-isoquinolin-3-yl]amino]benzoic acid CAS Name: 4-[[1-oxo-4-[oxo(pyridin-4-yl)methyl]-2H-isoquinolin-3-yl]amino]benzoic acid IUPAC Name: 4-[[1-oxo-4-(pyridine-4-carbonyl)-2H-isoquinolin-3-yl]amino]benzoic acid Traditional Name: 4-[(4-isonicotinoyl-1-keto-2H-isoquinolin-3-yl)amino]benzoic acid Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H15N3O4/c26-19(13-9-11-23-12-10-13)18-16-3-1-2-4-17(16)21(27)25-20(18)24-15-7-5-14(6-8-15)22(28)29/h1-12H,(H,28,29)(H2,24,25,27)