(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C27H20N2O6 MolecularWeight: 468.4575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)O

InChI

InChI=1S/C27H20N2O6/c1-2-16-12-21-17(13-24(31)35-23(21)14-22(16)30)15-34-27(33)25-19-10-6-7-11-20(19)26(32)29(28-25)18-8-4-3-5-9-18/h3-14,30H,2,15H2,1H3