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

Systemtic Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-4-methyl-benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-7-4-5-9(14(20)21)6-10(7)15-13(19)12-11(18(22)23)8(2)16-17(12)3/h4-6H,1-3H3,(H,15,19)(H,20,21)