(4-nitrophenyl)methyl N-[2-oxidanyl-4-oxidanylidene-4-(pyrrolidin-3-ylamino)butyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[2-oxidanyl-4-oxidanylidene-4-(pyrrolidin-3-ylamino)butyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[2-hydroxy-4-oxo-4-(pyrrolidin-3-ylamino)butyl]carbamate CAS Name: N-[2-hydroxy-4-oxo-4-(3-pyrrolidinylamino)butyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[2-hydroxy-4-oxo-4-(pyrrolidin-3-ylamino)butyl]carbamate Traditional Name: N-[2-hydroxy-4-keto-4-(pyrrolidin-3-ylamino)butyl]carbamic acid (4-nitrobenzyl) ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC(=O)CC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CNCC1NC(=O)CC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H22N4O6/c21-14(7-15(22)19-12-5-6-17-8-12)9-18-16(23)26-10-11-1-3-13(4-2-11)20(24)25/h1-4,12,14,17,21H,5-10H2,(H,18,23)(H,19,22)