methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate

Systemtic Name: methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate Openeye Name: methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoate Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyric acid methyl ester Formula: C10H15N3O4 MolecularWeight: 241.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)CC(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O4/c1-6(5-9(14)17-4)12-8(3)10(13(15)16)7(2)11-12/h6H,5H2,1-4H3