2-(butan-2-ylamino)-5-cyano-6-methanoyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(butan-2-ylamino)-5-cyano-6-methanoyl-pyridine-3-carboxylic acid Openeye Name: 5-cyano-6-formyl-2-(sec-butylamino)pyridine-3-carboxylic acid CAS Name: 2-(butan-2-ylamino)-5-cyano-6-formyl-3-pyridinecarboxylic acid IUPAC Name: 2-(butan-2-ylamino)-5-cyano-6-formylpyridine-3-carboxylic acid Traditional Name: 5-cyano-6-formyl-2-(sec-butylamino)nicotinic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C(=N1)C=O)C#N)C(=O)O

Isomeric SMILES

CCC(C)NC1=C(C=C(C(=N1)C=O)C#N)C(=O)O

InChI

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