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

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5/c1-2-3-4-17(23)26-12-16(22)20-9-7-19(8-10-20)14-6-5-13(18)11-15(14)21(24)25/h3-6,11H,2,7-10,12H2,1H3/b4-3+