1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(o-tolylmethyl)-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-(2-methylbenzyl)nicotinic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C14H13NO3/c1-10-4-2-3-5-11(10)8-15-9-12(14(17)18)6-7-13(15)16/h2-7,9H,8H2,1H3,(H,17,18)