(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C27H18N2O8 MolecularWeight: 498.44042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C27H18N2O8/c1-14(30)28-17-3-5-18(6-4-17)29-25(33)21-8-2-15(10-22(21)26(29)34)27(35)36-13-16-11-24(32)37-23-12-19(31)7-9-20(16)23/h2-12,31H,13H2,1H3,(H,28,30)