(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17N3O6/c1-12(26)23-14-6-7-15-13(8-21(28)31-19(15)9-14)11-30-20(27)10-18-16-4-2-3-5-17(16)22(29)25-24-18/h2-9H,10-11H2,1H3,(H,23,26)(H,25,29)