(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)Cl

InChI

InChI=1S/C22H17ClN2O6/c1-2-12-7-18-16(9-17(12)23)13(8-19(26)31-18)11-30-20(27)10-25-22(29)15-6-4-3-5-14(15)21(28)24-25/h3-9H,2,10-11H2,1H3,(H,24,28)