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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

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