bis[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] quinoline-2,4-dicarboxylate

Systemtic Name: bis[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] quinoline-2,4-dicarboxylate Openeye Name: bis[2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] quinoline-2,4-dicarboxylate CAS Name: quinoline-2,4-dicarboxylic acid bis[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: bis[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] quinoline-2,4-dicarboxylate Traditional Name: quinoline-2,4-dicarboxylic acid bis[2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C39H23Cl2N3O12 MolecularWeight: 796.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-])C(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-])C(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

InChI

InChI=1S/C39H23Cl2N3O12/c40-28-6-3-9-32(43(49)50)36(28)55-24-15-11-22(12-16-24)34(45)20-53-38(47)27-19-31(42-30-8-2-1-5-26(27)30)39(48)54-21-35(46)23-13-17-25(18-14-23)56-37-29(41)7-4-10-33(37)44(51)52/h1-19H,20-21H2