cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: cyanomethyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid cyanomethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O4/c1-11-7-12(2)10-18(9-11)14-4-3-13(8-15(14)19(21)22)16(20)23-6-5-17/h3-4,8,11-12H,6-7,9-10H2,1-2H3