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

Systemtic Name: 5-[(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(5-tert-butyl-2-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(5-tert-butyl-2-methyl-4-nitropyrazole-3-carbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(5-tert-butyl-2-methyl-4-nitro-pyrazole-3-carbonyl)amino]-2-hydroxy-benzoic acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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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)O)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-16(2,3)13-11(20(25)26)12(19(4)18-13)14(22)17-8-5-6-10(21)9(7-8)15(23)24/h5-7,21H,1-4H3,(H,17,22)(H,23,24)