2-methyl-6-(3-oxidanylidenepiperazin-1-yl)carbonyl-pyridine-3-carboxylic acid

Systemtic Name: 2-methyl-6-(3-oxidanylidenepiperazin-1-yl)carbonyl-pyridine-3-carboxylic acid Openeye Name: 2-methyl-6-(3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 2-methyl-6-[oxo-(3-oxo-1-piperazinyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-methyl-6-(3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 6-(3-ketopiperazine-1-carbonyl)-2-methyl-nicotinic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)N2CCNC(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N2CCNC(=O)C2)C(=O)O

InChI

InChI=1S/C12H13N3O4/c1-7-8(12(18)19)2-3-9(14-7)11(17)15-5-4-13-10(16)6-15/h2-3H,4-6H2,1H3,(H,13,16)(H,18,19)