[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethoxyethanoate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethoxyethanoate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C16H20ClN3O6 MolecularWeight: 385.7995

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O6/c1-2-25-11-16(22)26-10-15(21)19-7-5-18(6-8-19)13-4-3-12(17)9-14(13)20(23)24/h3-4,9H,2,5-8,10-11H2,1H3