2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[(2-cyano-3-methylbutan-2-yl)amino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-cyano-3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]nicotinic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C13H15N3O3/c1-8(2)13(3,7-14)16-11(17)10-9(12(18)19)5-4-6-15-10/h4-6,8H,1-3H3,(H,16,17)(H,18,19)