1-(tridecylamino)propan-2-yl 4-nitrobenzoate

Systemtic Name: 1-(tridecylamino)propan-2-yl 4-nitrobenzoate Openeye Name: [1-methyl-2-(tridecylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-(tridecylamino)propan-2-yl ester IUPAC Name: 1-(tridecylamino)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-methyl-2-(tridecylamino)ethyl] ester Formula: C23H38N2O4 MolecularWeight: 406.55882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCNCC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCNCC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H38N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-24-19-20(2)29-23(26)21-14-16-22(17-15-21)25(27)28/h14-17,20,24H,3-13,18-19H2,1-2H3