2-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: 2-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoate Openeye Name: 2-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoate CAS Name: 2-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzoate IUPAC Name: 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]benzoate Traditional Name: 2-[(1-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)C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

InChI

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