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

Systemtic Name: 1-(tridecylamino)propan-2-yl 4-nitrobenzoate hydrochloride Openeye Name: [1-methyl-2-(tridecylamino)ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1-(tridecylamino)propan-2-yl ester hydrochloride IUPAC Name: 1-(tridecylamino)propan-2-yl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [1-methyl-2-(tridecylamino)ethyl] ester hydrochloride Formula: C23H39ClN2O4 MolecularWeight: 443.01976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O4.ClH/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;1H