[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic 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] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C16H17N3O6/c1-9-14(15(17)25-19-9)16(21)24-8-13(20)18-10-3-4-11-12(7-10)23-6-2-5-22-11/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,20)