4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8(16-7-11(6-14-16)17(21)22)12(18)15-10-4-2-9(3-5-10)13(19)20/h2-8H,1H3,(H,15,18)(H,19,20)