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

Systemtic Name: (Z)-2-diazonio-3-[6-(2-ethenylphenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3-phenylmethoxycarbonyl-1,3-diazinan-1-yl]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[3-benzyloxycarbonyl-5-ethoxycarbonyl-4-methyl-2-oxo-6-(2-vinylphenyl)hexahydropyrimidin-1-yl]-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[6-(2-ethenylphenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-3-phenylmethoxycarbonyl-1,3-diazinan-1-yl]-1-methoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-[6-(2-ethenylphenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-3-phenylmethoxycarbonyl-1,3-diazinan-1-yl]-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[5-carbethoxy-3-carbobenzoxy-2-keto-4-methyl-6-(2-vinylphenyl)hexahydropyrimidin-1-yl]-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C28H28N4O8 MolecularWeight: 548.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=O)N(C1C2=CC=CC=C2C=C)C(=O)C(=C([O-])OC)[N+]#N)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1C(N(C(=O)N(C1C2=CC=CC=C2C=C)C(=O)/C(=C(\[O-])/OC)/[N+]#N)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C28H28N4O8/c1-5-19-14-10-11-15-20(19)23-21(25(34)39-6-2)17(3)31(28(37)40-16-18-12-8-7-9-13-18)27(36)32(23)24(33)22(30-29)26(35)38-4/h5,7-15,17,21,23H,1,6,16H2,2-4H3