4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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