(Z)-3-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-methoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-methoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[6-(2-allylphenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-hexahydropyrimidin-1-yl]-1-hydroxy-1-methoxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[5-ethoxycarbonyl-4-methyl-2-oxo-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-hydroxy-1-methoxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[5-ethoxycarbonyl-4-methyl-2-oxo-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[6-(2-allylphenyl)-5-carbethoxy-2-keto-4-methyl-hexahydropyrimidin-1-yl]-1-hydroxy-3-keto-1-methoxy-prop-1-ene-2-diazonium Formula: C21H25N4O6+ MolecularWeight: 429.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)N(C1C2=CC=CC=C2CC=C)C(=O)C(=C(O)OC)[N+]#N)C

Isomeric SMILES

CCOC(=O)C1C(NC(=O)N(C1C2=CC=CC=C2CC=C)C(=O)/C(=C(\O)/OC)/[N+]#N)C

InChI

InChI=1S/C21H24N4O6/c1-5-9-13-10-7-8-11-14(13)17-15(19(27)31-6-2)12(3)23-21(29)25(17)18(26)16(24-22)20(28)30-4/h5,7-8,10-12,15,17H,1,6,9H2,2-4H3,(H-,23,26,28,29)/p+1