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

Systemtic Name: (4-nitrophenyl)methyl N-[5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxo-hexyl]carbamate CAS Name: N-[5-amino-6-(2-cyano-1-pyrrolidinyl)-6-oxohexyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxohexyl]carbamate Traditional Name: N-[5-amino-6-(2-cyanopyrrolidino)-6-keto-hexyl]carbamic acid (4-nitrobenzyl) ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C19H25N5O5/c20-12-16-4-3-11-23(16)18(25)17(21)5-1-2-10-22-19(26)29-13-14-6-8-15(9-7-14)24(27)28/h6-9,16-17H,1-5,10-11,13,21H2,(H,22,26)