[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N4O5/c29-23(27-15-13-26(14-16-27)20-8-10-21(11-9-20)28(31)32)17-33-24(30)12-7-19-6-5-18-3-1-2-4-22(18)25-19/h1-6,8-11H,7,12-17H2