[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6-dimethyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C40H30N2O8 MolecularWeight: 666.6748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=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)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H30N2O8/c1-25-8-21-35-34(22-25)37(26(2)38(41-35)29-13-17-32(18-14-29)48-23-27-6-4-3-5-7-27)40(45)49-24-36(43)28-11-19-33(20-12-28)50-39(44)30-9-15-31(16-10-30)42(46)47/h3-22H,23-24H2,1-2H3