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

Systemtic Name: 3-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[6-(methylamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[6-(methylamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[7-keto-6-(methylamino)cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylic acid Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3/c1-13-8-5-3-2-4-7(11(8)16)9-6-10(12(17)18)15-14-9/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)