[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (6,7-dihydroxy-2-keto-chromen-4-yl)methyl ester Formula: C25H16N2O7 MolecularWeight: 456.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C25H16N2O7/c28-19-11-18-14(10-22(30)34-21(18)12-20(19)29)13-33-25(32)23-16-8-4-5-9-17(16)24(31)27(26-23)15-6-2-1-3-7-15/h1-12,28-29H,13H2