2-(nonan-5-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(nonan-5-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(1-butylpentylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(nonan-5-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(nonan-5-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(1-butylpentylamino)ethyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-3-5-7-16(8-6-4-2)19-13-14-24-18(21)15-9-11-17(12-10-15)20(22)23;/h9-12,16,19H,3-8,13-14H2,1-2H3;1H