(3,4-dichlorophenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3,4-dichlorophenyl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (3,4-dichlorobenzyl) ester Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20Cl2N2O4/c1-13-3-2-8-23(11-13)18-7-5-15(10-19(18)24(26)27)20(25)28-12-14-4-6-16(21)17(22)9-14/h4-7,9-10,13H,2-3,8,11-12H2,1H3