2-(2-cyclohexylethylamino)butyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(2-cyclohexylethylamino)butyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(2-cyclohexylethylamino)butyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(2-cyclohexylethylamino)butyl ester hydrochloride IUPAC Name: 2-(2-cyclohexylethylamino)butyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(2-cyclohexylethylamino)butyl ester hydrochloride Formula: C19H29ClN2O4 MolecularWeight: 384.89756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NCCC2CCCCC2.Cl

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NCCC2CCCCC2.Cl

InChI

InChI=1S/C19H28N2O4.ClH/c1-2-17(20-13-12-15-6-4-3-5-7-15)14-25-19(22)16-8-10-18(11-9-16)21(23)24;/h8-11,15,17,20H,2-7,12-14H2,1H3;1H