2-[(2,2,6-trimethylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-[(2,2,6-trimethylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[(2,2,6-trimethylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-[(2,2,6-trimethylcyclohexyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[(2,2,6-trimethylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[(2,2,6-trimethylcyclohexyl)amino]ethyl ester hydrochloride Formula: C18H27ClN2O4 MolecularWeight: 370.87098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C.Cl

Isomeric SMILES

CC1CCCC(C1NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C.Cl

InChI

InChI=1S/C18H26N2O4.ClH/c1-13-5-4-10-18(2,3)16(13)19-11-12-24-17(21)14-6-8-15(9-7-14)20(22)23;/h6-9,13,16,19H,4-5,10-12H2,1-3H3;1H