2-(2-methylphenyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-methylphenyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-(o-tolyl)-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-(2-methylphenyl)-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-(2-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-(o-tolyl)isoquinoline-4-carboxylic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C17H13NO3/c1-11-6-2-5-9-15(11)18-10-14(17(20)21)12-7-3-4-8-13(12)16(18)19/h2-10H,1H3,(H,20,21)