[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 2-chloranyl-4-nitro-benzoate hydrochloride

Systemtic Name: [2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 2-chloranyl-4-nitro-benzoate hydrochloride Openeye Name: [2-[(2-methyl-1-piperidyl)methyl]phenyl]methyl 2-chloro-4-nitro-benzoate hydrochloride CAS Name: 2-chloro-4-nitrobenzoic acid [2-[(2-methyl-1-piperidinyl)methyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl 2-chloro-4-nitrobenzoate hydrochloride Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[(2-methylpiperidino)methyl]benzyl] ester hydrochloride Formula: C21H24Cl2N2O4 MolecularWeight: 439.33226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.Cl

Isomeric SMILES

CC1CCCCN1CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.Cl

InChI

InChI=1S/C21H23ClN2O4.ClH/c1-15-6-4-5-11-23(15)13-16-7-2-3-8-17(16)14-28-21(25)19-10-9-18(24(26)27)12-20(19)22;/h2-3,7-10,12,15H,4-6,11,13-14H2,1H3;1H