1-(pentan-3-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride

Systemtic Name: 1-(pentan-3-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Openeye Name: [2-(1-ethylpropylamino)-1-methyl-ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1-(pentan-3-ylamino)propan-2-yl ester hydrochloride IUPAC Name: 1-(pentan-3-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-(1-ethylpropylamino)-1-methyl-ethyl] ester hydrochloride Formula: C15H23ClN2O4 MolecularWeight: 330.80712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4.ClH/c1-4-13(5-2)16-10-11(3)21-15(18)12-6-8-14(9-7-12)17(19)20;/h6-9,11,13,16H,4-5,10H2,1-3H3;1H