[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5/c27-21(15-31-22(28)20-10-5-16-3-1-2-4-19(16)23-20)25-13-11-24(12-14-25)17-6-8-18(9-7-17)26(29)30/h1-10H,11-15H2