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

Systemtic Name: (Z)-3-[5-ethoxycarbonyl-1,6-dimethyl-2-oxidanylidene-4-(2-prop-2-enylphenyl)-4H-pyrimidin-3-yl]-1-methoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[4-(2-allylphenyl)-5-ethoxycarbonyl-1,6-dimethyl-2-oxo-4H-pyrimidin-3-yl]-1-hydroxy-1-methoxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[5-ethoxycarbonyl-1,6-dimethyl-2-oxo-4-(2-prop-2-enylphenyl)-4H-pyrimidin-3-yl]-1-hydroxy-1-methoxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[5-ethoxycarbonyl-1,6-dimethyl-2-oxo-4-(2-prop-2-enylphenyl)-4H-pyrimidin-3-yl]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[4-(2-allylphenyl)-5-carbethoxy-2-keto-1,6-dimethyl-4H-pyrimidin-3-yl]-1-hydroxy-3-keto-1-methoxy-prop-1-ene-2-diazonium Formula: C22H25N4O6+ MolecularWeight: 441.4571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c1-6-10-14-11-8-9-12-15(14)18-16(20(28)32-7-2)13(3)25(4)22(30)26(18)19(27)17(24-23)21(29)31-5/h6,8-9,11-12,18H,1,7,10H2,2-5H3/p+1