3-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-methoxy-4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoic acid Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H10N4O6/c1-22-11-9(16(20)21)8(14-15-11)10(17)13-7-4-2-3-6(5-7)12(18)19/h2-5H,1H3,(H,13,17)(H,14,15)(H,18,19)