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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] quinoxaline-2-carboxylate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochromen-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C26H15N3O5 MolecularWeight: 449.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H15N3O5/c1-26(34-25(32)21-13-28-19-4-2-3-5-20(19)29-21)23(30)11-17-10-22(33-14-18(17)24(26)31)16-8-6-15(12-27)7-9-16/h2-11,13-14H,1H3