(2-methyl-1-nitro-cyclohex-3-en-1-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (2-methyl-1-nitro-cyclohex-3-en-1-yl)methyl 2,2-dimethylpropanoate Openeye Name: (2-methyl-1-nitro-cyclohex-3-en-1-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (2-methyl-1-nitro-1-cyclohex-3-enyl)methyl ester IUPAC Name: (2-methyl-1-nitrocyclohex-3-en-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-methyl-1-nitro-cyclohex-3-en-1-yl)methyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCCC1(COC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1C=CCCC1(COC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21NO4/c1-10-7-5-6-8-13(10,14(16)17)9-18-11(15)12(2,3)4/h5,7,10H,6,8-9H2,1-4H3