1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-oxo-1-[2-oxo-2-(sec-butylamino)ethyl]pyridine-3-carboxylic acid CAS Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-[2-keto-2-(sec-butylamino)ethyl]nicotinic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C=C(C=CC1=O)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CN1C=C(C=CC1=O)C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-3-8(2)13-10(15)7-14-6-9(12(17)18)4-5-11(14)16/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,17,18)