tert-butyl N-(3-methylbutyl)carbamate; tert-butyl 4-methyl-3-nitro-benzoate

Systemtic Name: tert-butyl N-(3-methylbutyl)carbamate; tert-butyl 4-methyl-3-nitro-benzoate Openeye Name: tert-butyl N-isopentylcarbamate; tert-butyl 4-methyl-3-nitro-benzoate CAS Name: N-(3-methylbutyl)carbamic acid tert-butyl ester; 4-methyl-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-methylbutyl)carbamate; tert-butyl 4-methyl-3-nitrobenzoate Traditional Name: N-isoamylcarbamic acid tert-butyl ester; 4-methyl-3-nitro-benzoic acid tert-butyl ester Formula: C22H36N2O6 MolecularWeight: 424.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)[N+](=O)[O-].CC(C)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)[N+](=O)[O-].CC(C)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C12H15NO4.C10H21NO2/c1-8-5-6-9(7-10(8)13(15)16)11(14)17-12(2,3)4;1-8(2)6-7-11-9(12)13-10(3,4)5/h5-7H,1-4H3;8H,6-7H2,1-5H3,(H,11,12)