2-(butan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(butan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(sec-butylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(butan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(butan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(sec-butylamino)ethyl ester hydrochloride Formula: C13H19ClN2O4 MolecularWeight: 302.75396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4.ClH/c1-3-10(2)14-8-9-19-13(16)11-4-6-12(7-5-11)15(17)18;/h4-7,10,14H,3,8-9H2,1-2H3;1H