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

Systemtic Name: 4-[[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]methyl]benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-2-17-8-11(18(22)23)12(16-17)13(19)15-7-9-3-5-10(6-4-9)14(20)21/h3-6,8H,2,7H2,1H3,(H,15,19)(H,20,21)