(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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 (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C22H18N2O6/c1-12-7-8-15-14(9-18(25)30-20(15)13(12)2)11-29-19(26)10-24-22(28)17-6-4-3-5-16(17)21(27)23-24/h3-9H,10-11H2,1-2H3,(H,23,27)