2-[(4-methylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-[(4-methylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[(4-methylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-[(4-methylcyclohexyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[(4-methylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[(4-methylcyclohexyl)amino]ethyl ester hydrochloride Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CCC(CC1)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O4.ClH/c1-12-2-6-14(7-3-12)17-10-11-22-16(19)13-4-8-15(9-5-13)18(20)21;/h4-5,8-9,12,14,17H,2-3,6-7,10-11H2,1H3;1H