(Z,5R)-5-(1,3-benzodioxol-5-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-1-prop-2-enoxy-pent-1-ene-2-diazonium

Systemtic Name: (Z,5R)-5-(1,3-benzodioxol-5-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-1-prop-2-enoxy-pent-1-ene-2-diazonium Openeye Name: (Z,5R)-1-allyloxy-5-(1,3-benzodioxol-5-yl)-5-(tert-butoxycarbonylamino)-1-hydroxy-3-oxo-pent-1-ene-2-diazonium CAS Name: (Z,5R)-5-(1,3-benzodioxol-5-yl)-1-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-prop-2-enoxy-1-pentene-2-diazonium IUPAC Name: (Z,5R)-5-(1,3-benzodioxol-5-yl)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1-prop-2-enoxypent-1-ene-2-diazonium Traditional Name: (Z,5R)-1-allyloxy-5-(1,3-benzodioxol-5-yl)-5-(tert-butoxycarbonylamino)-1-hydroxy-3-keto-pent-1-ene-2-diazonium Formula: C20H24N3O7+ MolecularWeight: 418.42046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)C(=C(O)OCC=C)[N+]#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)/C(=C(\O)/OCC=C)/[N+]#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C20H23N3O7/c1-5-8-27-18(25)17(23-21)14(24)10-13(22-19(26)30-20(2,3)4)12-6-7-15-16(9-12)29-11-28-15/h5-7,9,13H,1,8,10-11H2,2-4H3,(H-,22,24,25,26)/p+1/t13-/m1/s1