(4-nitrophenyl)methyl N-[5-azanyl-6-(2-cyanopiperidin-1-yl)-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[5-azanyl-6-(2-cyanopiperidin-1-yl)-6-oxidanylidene-hexyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyano-1-piperidyl)-6-oxo-hexyl]carbamate CAS Name: N-[5-amino-6-(2-cyano-1-piperidinyl)-6-oxohexyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyanopiperidin-1-yl)-6-oxohexyl]carbamate Traditional Name: N-[5-amino-6-(2-cyanopiperidino)-6-keto-hexyl]carbamic acid (4-nitrobenzyl) ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C#N)C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCN(C(C1)C#N)C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H27N5O5/c21-13-17-5-2-4-12-24(17)19(26)18(22)6-1-3-11-23-20(27)30-14-15-7-9-16(10-8-15)25(28)29/h7-10,17-18H,1-6,11-12,14,22H2,(H,23,27)