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

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-butyric acid Formula: C12H18N4O5 MolecularWeight: 298.29512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C(C)C)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(C(C)C)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5/c1-6(2)10(12(18)19)13-9(17)5-15-8(4)11(16(20)21)7(3)14-15/h6,10H,5H2,1-4H3,(H,13,17)(H,18,19)