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

Systemtic Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3-phenylmethoxycarbonyl-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[6-(2-allylphenyl)-3-benzyloxycarbonyl-5-ethoxycarbonyl-4-methyl-2-oxo-hexahydropyrimidin-1-yl]-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-4-methyl-2-oxo-3-phenylmethoxycarbonyl-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-methoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-[5-ethoxycarbonyl-4-methyl-2-oxo-3-phenylmethoxycarbonyl-6-(2-prop-2-enylphenyl)-1,3-diazinan-1-yl]-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[6-(2-allylphenyl)-5-carbethoxy-3-carbobenzoxy-2-keto-4-methyl-hexahydropyrimidin-1-yl]-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C29H30N4O8 MolecularWeight: 562.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=O)N(C1C2=CC=CC=C2CC=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=C2CC=C)C(=O)/C(=C(\[O-])/OC)/[N+]#N)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C29H30N4O8/c1-5-12-20-15-10-11-16-21(20)24-22(26(35)40-6-2)18(3)32(29(38)41-17-19-13-8-7-9-14-19)28(37)33(24)25(34)23(31-30)27(36)39-4/h5,7-11,13-16,18,22,24H,1,6,12,17H2,2-4H3