(Z)-2-diazonio-3-[5-ethoxycarbonyl-6-methyl-2-oxidanylidene-4-(2-prop-2-enylphenyl)-1,4-dihydropyrimidin-3-yl]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-6-methyl-2-oxidanylidene-4-(2-prop-2-enylphenyl)-1,4-dihydropyrimidin-3-yl]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[4-(2-allylphenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-1,4-dihydropyrimidin-3-yl]-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-6-methyl-2-oxo-4-(2-prop-2-enylphenyl)-1,4-dihydropyrimidin-3-yl]-1-methoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-6-methyl-2-oxo-4-(2-prop-2-enylphenyl)-1,4-dihydropyrimidin-3-yl]-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[4-(2-allylphenyl)-5-carbethoxy-2-keto-6-methyl-1,4-dihydropyrimidin-3-yl]-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2CC=C)C(=O)C(=C([O-])OC)[N+]#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2CC=C)C(=O)/C(=C(\[O-])/OC)/[N+]#N)C

InChI

InChI=1S/C21H22N4O6/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/h5,7-8,10-11,17H,1,6,9H2,2-4H3,(H-,23,26,27,28,29)