[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C16H18ClN3O5 MolecularWeight: 367.78422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O5/c1-2-3-16(22)25-11-15(21)19-8-6-18(7-9-19)13-5-4-12(17)10-14(13)20(23)24/h2-5,10H,6-9,11H2,1H3/b3-2+