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

Systemtic Name: (4-nitrophenyl)methyl N-(4-oxidanylidene-4-piperazin-1-yl-butyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(4-oxo-4-piperazin-1-yl-butyl)carbamate CAS Name: N-[4-oxo-4-(1-piperazinyl)butyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate Traditional Name: N-(4-keto-4-piperazino-butyl)carbamic acid (4-nitrobenzyl) ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c21-15(19-10-8-17-9-11-19)2-1-7-18-16(22)25-12-13-3-5-14(6-4-13)20(23)24/h3-6,17H,1-2,7-12H2,(H,18,22)