[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic 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] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H21N3O9 MolecularWeight: 471.41684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)OC1

InChI

InChI=1S/C22H21N3O9/c26-20(23-14-4-7-17-19(11-14)32-10-2-9-31-17)13-33-21(27)3-1-8-24-16-6-5-15(25(29)30)12-18(16)34-22(24)28/h4-7,11-12H,1-3,8-10,13H2,(H,23,26)