[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43)OC1

InChI

InChI=1S/C20H16N2O6/c23-15(12-6-7-16-17(10-12)27-9-3-8-26-16)11-28-20(25)18-13-4-1-2-5-14(13)19(24)22-21-18/h1-2,4-7,10H,3,8-9,11H2,(H,22,24)