2-[3-(methylaminomethyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-[3-(methylaminomethyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-[3-(methylaminomethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-[3-(methylaminomethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-[3-(methylaminomethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-1-[3-(methylaminomethyl)phenyl]-3-pyrazoline-3-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC=C1)N2C(=O)C=C(N2)C(=O)O

Isomeric SMILES

CNCC1=CC(=CC=C1)N2C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-13-7-8-3-2-4-9(5-8)15-11(16)6-10(14-15)12(17)18/h2-6,13-14H,7H2,1H3,(H,17,18)