4-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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