methyl 2-(2-chlorophenyl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(5-nitro-8-quinolyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(5-nitro-8-quinolyl)piperazino]acetic acid methyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C22H21ClN4O4/c1-31-22(28)21(15-5-2-3-7-17(15)23)26-13-11-25(12-14-26)19-9-8-18(27(29)30)16-6-4-10-24-20(16)19/h2-10,21H,11-14H2,1H3