3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzoic acid

Systemtic Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzoic acid Openeye Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzoic acid CAS Name: 3-[(2,5-dimethyl-4-nitro-3-pyrazolyl)amino]benzoic acid IUPAC Name: 3-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]benzoic acid Traditional Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzoic acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C12H12N4O4/c1-7-10(16(19)20)11(15(2)14-7)13-9-5-3-4-8(6-9)12(17)18/h3-6,13H,1-2H3,(H,17,18)