2-methyl-5-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid Openeye Name: 2-methyl-5-[6-(methylamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[6-(methylamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid Traditional Name: 5-[7-keto-6-(methylamino)cyclohepta-1,3,5-trien-1-yl]-2-methyl-pyrazole-3-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C(C1=O)C2=NN(C(=C2)C(=O)O)C

Isomeric SMILES

CNC1=CC=CC=C(C1=O)C2=NN(C(=C2)C(=O)O)C

InChI

InChI=1S/C13H13N3O3/c1-14-9-6-4-3-5-8(12(9)17)10-7-11(13(18)19)16(2)15-10/h3-7H,1-2H3,(H,14,17)(H,18,19)