[2-(piperidin-1-ylmethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(1-piperidylmethyl)phenyl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(1-piperidinylmethyl)phenyl]methyl ester IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(piperidinomethyl)benzyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O4/c21-19-12-17(23(25)26)8-9-18(19)20(24)27-14-16-7-3-2-6-15(16)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13-14H2