[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C21H19N3O6/c25-19(23-14-6-7-17-18(10-14)29-9-3-8-28-17)12-30-20(26)11-24-13-22-16-5-2-1-4-15(16)21(24)27/h1-2,4-7,10,13H,3,8-9,11-12H2,(H,23,25)