tert-butyl N-[[1-(2-cyano-4-nitro-phenyl)piperidin-3-yl]methyl]-N-propan-2-yl-carbamate

Systemtic Name: tert-butyl N-[[1-(2-cyano-4-nitro-phenyl)piperidin-3-yl]methyl]-N-propan-2-yl-carbamate Openeye Name: tert-butyl N-[[1-(2-cyano-4-nitro-phenyl)-3-piperidyl]methyl]-N-isopropyl-carbamate CAS Name: N-[[1-(2-cyano-4-nitrophenyl)-3-piperidinyl]methyl]-N-propan-2-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(2-cyano-4-nitrophenyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate Traditional Name: N-[[1-(2-cyano-4-nitro-phenyl)-3-piperidyl]methyl]-N-isopropyl-carbamic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-15(2)24(20(26)29-21(3,4)5)14-16-7-6-10-23(13-16)19-9-8-18(25(27)28)11-17(19)12-22/h8-9,11,15-16H,6-7,10,13-14H2,1-5H3