[2-cyclohexyl-2-(methylamino)ethyl] 4-nitrobenzoate hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCCCC2.Cl

Isomeric SMILES

CNC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCCCC2.Cl

InChI

InChI=1S/C16H22N2O4.ClH/c1-17-15(12-5-3-2-4-6-12)11-22-16(19)13-7-9-14(10-8-13)18(20)21;/h7-10,12,15,17H,2-6,11H2,1H3;1H