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

Systemtic Name: 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoate Openeye Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoate CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)butanoate IUPAC Name: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoate Traditional Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butyrate Formula: C8H9ClN3O4- MolecularWeight: 246.62776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C8H10ClN3O4/c1-5-7(9)8(12(15)16)10-11(5)4-2-3-6(13)14/h2-4H2,1H3,(H,13,14)/p-1