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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)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-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3)OC1

InChI

InChI=1S/C21H20N2O7/c24-19(22-13-6-7-16-17(10-13)28-9-3-8-27-16)12-29-20(25)11-18-21(26)23-14-4-1-2-5-15(14)30-18/h1-2,4-7,10,18H,3,8-9,11-12H2,(H,22,24)(H,23,26)