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

Systemtic Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoic acid Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-9-14(19(23)24)10(2)18(17-9)8-13(20)16-7-11-3-5-12(6-4-11)15(21)22/h3-6H,7-8H2,1-2H3,(H,16,20)(H,21,22)