(8-azanyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-[3,4-bis(oxidanyl)pyrrolidin-1-yl]methanone

Systemtic Name: (8-azanyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-[3,4-bis(oxidanyl)pyrrolidin-1-yl]methanone Openeye Name: (8-amino-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone CAS Name: (8-amino-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-(3,4-dihydroxy-1-pyrrolidinyl)methanone IUPAC Name: (8-amino-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone Traditional Name: (8-amino-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-(3,4-dihydroxypyrrolidino)methanone Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)N)C(=O)N3CC(C(C3)O)O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)N)C(=O)N3CC(C(C3)O)O)OC1

InChI

InChI=1S/C14H18N2O5/c15-8-4-9(13-12(5-8)20-2-1-3-21-13)14(19)16-6-10(17)11(18)7-16/h4-5,10-11,17-18H,1-3,6-7,15H2