[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-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] 3-methylbut-2-enoate Traditional Name: 3-methylbut-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:

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

Isomeric SMILES

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

InChI

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