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

Systemtic Name: (3,4-dichlorophenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (3,4-dichlorophenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (3,4-dichlorobenzyl) ester Formula: C19H18Cl2N2O4 MolecularWeight: 409.26322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18Cl2N2O4/c20-15-6-4-13(10-16(15)21)12-27-19(24)14-5-7-17(18(11-14)23(25)26)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2