(Z,5R)-2-diazonio-5-(2-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-pent-1-en-1-olate

Systemtic Name: (Z,5R)-2-diazonio-5-(2-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-pent-1-en-1-olate Openeye Name: (Z,5R)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-5-(o-tolyl)-3-oxo-pent-1-en-1-olate CAS Name: (Z,5R)-2-diazonio-5-(2-methylphenyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-prop-2-enoxy-1-penten-1-olate IUPAC Name: (Z,5R)-2-diazonio-5-(2-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1-prop-2-enoxypent-1-en-1-olate Traditional Name: (Z,5R)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-3-keto-5-(o-tolyl)pent-1-en-1-olate Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)C(=C([O-])OCC=C)[N+]#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](CC(=O)/C(=C(\[O-])/OCC=C)/[N+]#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N3O5/c1-6-11-27-18(25)17(23-21)16(24)12-15(14-10-8-7-9-13(14)2)22-19(26)28-20(3,4)5/h6-10,15H,1,11-12H2,2-5H3,(H-,22,24,25,26)/t15-/m1/s1