2-(2-ethylhexylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(2-ethylhexylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(2-ethylhexylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(2-ethylhexylamino)ethyl ester hydrochloride IUPAC Name: 2-(2-ethylhexylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(2-ethylhexylamino)ethyl ester hydrochloride Formula: C17H27ClN2O4 MolecularWeight: 358.86028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4.ClH/c1-3-5-6-14(4-2)13-18-11-12-23-17(20)15-7-9-16(10-8-15)19(21)22;/h7-10,14,18H,3-6,11-13H2,1-2H3;1H