4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid Openeye Name: 4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid CAS Name: 4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid Traditional Name: 4-[(1-keto-5-methyl-2H-isoquinolin-6-yl)amino]nicotinic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CNC2=O)NC3=C(C=NC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C=CNC2=O)NC3=C(C=NC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3/c1-9-10-4-7-18-15(20)11(10)2-3-13(9)19-14-5-6-17-8-12(14)16(21)22/h2-8H,1H3,(H,17,19)(H,18,20)(H,21,22)