3-(3-methylphenyl)carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-(3-methylphenyl)carbonylpyrazine-2-carboxylic acid Openeye Name: 3-(3-methylbenzoyl)pyrazine-2-carboxylic acid CAS Name: 3-[(3-methylphenyl)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(3-methylbenzoyl)pyrazine-2-carboxylic acid Traditional Name: 3-m-toluoylpyrazinoic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C13H10N2O3/c1-8-3-2-4-9(7-8)12(16)10-11(13(17)18)15-6-5-14-10/h2-7H,1H3,(H,17,18)