[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-ethyl-3-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C40H32N2O7 MolecularWeight: 652.69128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H32N2O7/c1-3-27-9-22-36-35(23-27)38(26(2)39(41-36)30-12-16-32(17-13-30)47-24-28-7-5-4-6-8-28)40(44)48-25-37(43)29-10-18-33(19-11-29)49-34-20-14-31(15-21-34)42(45)46/h4-23H,3,24-25H2,1-2H3