2-[(2E)-2-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 2-[(2E)-2-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 2-[(2E)-2-(1,3-dimethyl-5-oxo-pyrazol-4-ylidene)hydrazino]benzoic acid CAS Name: 2-[(2E)-2-(1,3-dimethyl-5-oxo-4-pyrazolylidene)hydrazinyl]benzoic acid IUPAC Name: 2-[(2E)-2-(1,3-dimethyl-5-oxopyrazol-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 2-[(N'E)-N'-(5-keto-1,3-dimethyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C12H12N4O3/c1-7-10(11(17)16(2)15-7)14-13-9-6-4-3-5-8(9)12(18)19/h3-6,13H,1-2H3,(H,18,19)/b14-10+