3-[(2,5-dimethylphenyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2,5-dimethylphenyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[(2,5-dimethylanilino)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2,5-dimethylphenyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(2,5-dimethylphenyl)carbamoyl]pyrazinoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-8-3-4-9(2)10(7-8)17-13(18)11-12(14(19)20)16-6-5-15-11/h3-7H,1-2H3,(H,17,18)(H,19,20)