[1-azanyl-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imino-propan-2-yl] hexanoate

Systemtic Name: [1-azanyl-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imino-propan-2-yl] hexanoate Openeye Name: [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] hexanoate CAS Name: hexanoic acid [1-amino-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]iminopropan-2-yl] ester IUPAC Name: [1-amino-2-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]iminopropan-2-yl] hexanoate Traditional Name: hexanoic acid [2-amino-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]imino-ethyl] ester Formula: C17H22F3N3O4 MolecularWeight: 389.36949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)(C)C(=NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)N

Isomeric SMILES

CCCCCC(=O)OC(C)(C)C(=NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)N

InChI

InChI=1S/C17H22F3N3O4/c1-4-5-6-7-14(24)27-16(2,3)15(21)22-11-8-9-13(23(25)26)12(10-11)17(18,19)20/h8-10H,4-7H2,1-3H3,(H2,21,22)