6-[2-cyanoethyl(methyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[2-cyanoethyl(methyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[2-cyanoethyl(methyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[2-cyanoethyl(methyl)amino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[2-cyanoethyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[2-cyanoethyl(methyl)carbamoyl]-2-methyl-nicotinic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)N(C)CCC#N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N(C)CCC#N)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-8-9(12(17)18)4-5-10(14-8)11(16)15(2)7-3-6-13/h4-5H,3,7H2,1-2H3,(H,17,18)