4-[(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(5-tert-butyl-2-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-tert-butyl-2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-16(2,3)13-11(20(24)25)12(19(4)18-13)14(21)17-10-7-5-9(6-8-10)15(22)23/h5-8H,1-4H3,(H,17,21)(H,22,23)