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

Systemtic Name: 1-methyl-5-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid Openeye Name: 1-methyl-5-[6-(methylamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]pyrazole-3-carboxylic acid CAS Name: 1-methyl-5-[6-(methylamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-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]-1-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=CC(=NN2C)C(=O)O

Isomeric SMILES

CNC1=CC=CC=C(C1=O)C2=CC(=NN2C)C(=O)O

InChI

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