(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H16N2O5/c1-11-7-8-14-13(9-17(24)28-19(14)12(11)2)10-27-21(26)18-15-5-3-4-6-16(15)20(25)23-22-18/h3-9H,10H2,1-2H3,(H,23,25)