[2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate; sulfuric acid

Systemtic Name: [2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate; sulfuric acid Openeye Name: [2-(isopentylamino)-1,1-dimethyl-ethyl] 4-nitrobenzoate; sulfuric acid CAS Name: 4-nitrobenzoic acid [2-methyl-1-(3-methylbutylamino)propan-2-yl] ester; sulfuric acid IUPAC Name: [2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate; sulfuric acid Traditional Name: 4-nitrobenzoic acid [2-(isoamylamino)-1,1-dimethyl-ethyl] ester; sulfuric acid Formula: C16H26N2O8S MolecularWeight: 406.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

CC(C)CCNCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C16H24N2O4.H2O4S/c1-12(2)9-10-17-11-16(3,4)22-15(19)13-5-7-14(8-6-13)18(20)21;1-5(2,3)4/h5-8,12,17H,9-11H2,1-4H3;(H2,1,2,3,4)