cyanomethyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: cyanomethyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: cyanomethyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid cyanomethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C21H21N3O4/c22-10-13-28-21(25)19-15-18(24(26)27)6-7-20(19)23-11-8-17(9-12-23)14-16-4-2-1-3-5-16/h1-7,15,17H,8-9,11-14H2