3-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzoic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-2-16-7-10(17(21)22)11(15-16)12(18)14-9-5-3-4-8(6-9)13(19)20/h3-7H,2H2,1H3,(H,14,18)(H,19,20)