5-[6-chloranyl-5-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate

Systemtic Name: 5-[6-chloranyl-5-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate Openeye Name: 5-[5-(benzyloxycarbonylamino)-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate CAS Name: 5-[6-chloro-5-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate IUPAC Name: 5-[6-chloro-5-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate Traditional Name: 5-[5-(benzyloxycarbonylamino)-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl]-1,3,4-oxadiazol-2-olate Formula: C18H13ClN3O6- MolecularWeight: 402.76532

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C(=CC(=C2NC(=O)OCC3=CC=CC=C3)Cl)C4=NN=C(O4)[O-]

Isomeric SMILES

C1COC2=C(O1)C(=CC(=C2NC(=O)OCC3=CC=CC=C3)Cl)C4=NN=C(O4)[O-]

InChI

InChI=1S/C18H14ClN3O6/c19-12-8-11(16-21-22-18(24)28-16)14-15(26-7-6-25-14)13(12)20-17(23)27-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,20,23)(H,22,24)/p-1