4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid

Systemtic Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid Openeye Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid CAS Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid IUPAC Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid Traditional Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c1-6-9(15(18)19)10(14-13-6)12-8-4-2-7(3-5-8)11(16)17/h2-5H,1H3,(H,16,17)(H2,12,13,14)