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

Systemtic Name: [3,4-bis(oxidanyl)pyrrolidin-1-yl]-(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone Openeye Name: (3,4-dihydroxypyrrolidin-1-yl)-(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone CAS Name: (3,4-dihydroxy-1-pyrrolidinyl)-(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone IUPAC Name: (3,4-dihydroxypyrrolidin-1-yl)-(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone Traditional Name: (3,4-dihydroxypyrrolidino)-(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)N3CC(C(C3)O)O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)N3CC(C(C3)O)O)OC1

InChI

InChI=1S/C14H16N2O7/c17-10-6-15(7-11(10)18)14(19)9-4-8(16(20)21)5-12-13(9)23-3-1-2-22-12/h4-5,10-11,17-18H,1-3,6-7H2