ethyl N-ethyl-N-[2-(4-methanoylpiperazin-1-yl)-5-nitro-phenyl]carbamate

Systemtic Name: ethyl N-ethyl-N-[2-(4-methanoylpiperazin-1-yl)-5-nitro-phenyl]carbamate Openeye Name: ethyl N-ethyl-N-[2-(4-formylpiperazin-1-yl)-5-nitro-phenyl]carbamate CAS Name: N-ethyl-N-[2-(4-formyl-1-piperazinyl)-5-nitrophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-ethyl-N-[2-(4-formylpiperazin-1-yl)-5-nitrophenyl]carbamate Traditional Name: N-ethyl-N-[2-(4-formylpiperazino)-5-nitro-phenyl]carbamic acid ethyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C=O)C(=O)OCC

Isomeric SMILES

CCN(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C=O)C(=O)OCC

InChI

InChI=1S/C16H22N4O5/c1-3-19(16(22)25-4-2)15-11-13(20(23)24)5-6-14(15)18-9-7-17(12-21)8-10-18/h5-6,11-12H,3-4,7-10H2,1-2H3