4-[(2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: 4-[(2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoate Openeye Name: 4-[(2-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoate Formula: C12H9N4O5- MolecularWeight: 289.22366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H10N4O5/c1-15-10(9(6-13-15)16(20)21)11(17)14-8-4-2-7(3-5-8)12(18)19/h2-6H,1H3,(H,14,17)(H,18,19)/p-1