2-[[2-ethanoyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-ethanoyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-acetyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]amino]-3-methyl-butyric acid Formula: C16H20N4O5 MolecularWeight: 348.3538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1CC(=NN1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC1CC(=NN1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-9(2)15(16(22)23)17-14-8-13(18-19(14)10(3)21)11-5-4-6-12(7-11)20(24)25/h4-7,9,14-15,17H,8H2,1-3H3,(H,22,23)