[2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-7,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-methylphenyl)-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-bromo-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C34H27BrN2O6 MolecularWeight: 639.49198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC(=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-])C)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC(=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-])C)Br)C)C

InChI

InChI=1S/C34H27BrN2O6/c1-19-5-7-23(8-6-19)30-17-28(27-16-29(35)21(3)22(4)33(27)36-30)34(39)42-18-31(38)24-9-14-32(20(2)15-24)43-26-12-10-25(11-13-26)37(40)41/h5-17H,18H2,1-4H3