[1-(cyclohexylamino)-2-methyl-propan-2-yl] 4-nitrobenzoate hydrochloride

Systemtic Name: [1-(cyclohexylamino)-2-methyl-propan-2-yl] 4-nitrobenzoate hydrochloride Openeye Name: [2-(cyclohexylamino)-1,1-dimethyl-ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [1-(cyclohexylamino)-2-methylpropan-2-yl] ester hydrochloride IUPAC Name: [1-(cyclohexylamino)-2-methylpropan-2-yl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-(cyclohexylamino)-1,1-dimethyl-ethyl] ester hydrochloride Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)(CNC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H24N2O4.ClH/c1-17(2,12-18-14-6-4-3-5-7-14)23-16(20)13-8-10-15(11-9-13)19(21)22;/h8-11,14,18H,3-7,12H2,1-2H3;1H