[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] quinoxaline-2-carboxylate

Systemtic Name: [5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] quinoxaline-2-carboxylate Openeye Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [5-bromo-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-isochromen-7-yl] ester Formula: C26H17BrN2O6 MolecularWeight: 533.32698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H17BrN2O6/c1-26(35-25(32)20-12-28-18-5-3-4-6-19(18)29-20)23(30)17-13-34-21(11-16(17)22(27)24(26)31)14-7-9-15(33-2)10-8-14/h3-13H,1-2H3