[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-13(2)11-17(22)25-12-16(21)19-9-7-18(8-10-19)14-3-5-15(6-4-14)20(23)24/h3-6,11H,7-10,12H2,1-2H3