4-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(5-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CC(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8-11(17(21)22)6-14-16(8)7-12(18)15-10-4-2-9(3-5-10)13(19)20/h2-6H,7H2,1H3,(H,15,18)(H,19,20)