(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H13ClN2O5 MolecularWeight: 396.78062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C20H13ClN2O5/c1-10-6-16-14(8-15(10)21)11(7-17(24)28-16)9-27-20(26)18-12-4-2-3-5-13(12)19(25)23-22-18/h2-8H,9H2,1H3,(H,23,25)