(4-nitrophenyl)methyl N-(3-oxidanyl-4-oxidanylidene-4-piperazin-1-yl-butyl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-(3-oxidanyl-4-oxidanylidene-4-piperazin-1-yl-butyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(3-hydroxy-4-oxo-4-piperazin-1-yl-butyl)carbamate CAS Name: N-[3-hydroxy-4-oxo-4-(1-piperazinyl)butyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(3-hydroxy-4-oxo-4-piperazin-1-ylbutyl)carbamate Traditional Name: N-(3-hydroxy-4-keto-4-piperazino-butyl)carbamic acid (4-nitrobenzyl) ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1)C(=O)C(CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

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