(Z)-2,3-bis(methoxycarbonyl)-4-(4-methylpyrimidin-1-ium-1-yl)-5-oxidanylidene-5-phenyl-pent-2-enoate

Systemtic Name: (Z)-2,3-bis(methoxycarbonyl)-4-(4-methylpyrimidin-1-ium-1-yl)-5-oxidanylidene-5-phenyl-pent-2-enoate Openeye Name: (Z)-2,3-bis(methoxycarbonyl)-4-(4-methylpyrimidin-1-ium-1-yl)-5-oxo-5-phenyl-pent-2-enoate CAS Name: (Z)-2,3-bis(methoxycarbonyl)-4-(4-methyl-1-pyrimidin-1-iumyl)-5-oxo-5-phenyl-2-pentenoate IUPAC Name: (Z)-2,3-bis(methoxycarbonyl)-4-(4-methylpyrimidin-1-ium-1-yl)-5-oxo-5-phenylpent-2-enoate Traditional Name: (Z)-2,3-dicarbomethoxy-5-keto-4-(4-methylpyrimidin-1-ium-1-yl)-5-phenyl-pent-2-enoate Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](C=C1)C(C(=O)C2=CC=CC=C2)C(=C(C(=O)[O-])C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC=[N+](C=C1)C(C(=O)C2=CC=CC=C2)/C(=C(\C(=O)[O-])/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C20H18N2O7/c1-12-9-10-22(11-21-12)16(17(23)13-7-5-4-6-8-13)14(19(26)28-2)15(18(24)25)20(27)29-3/h4-11,16H,1-3H3/b15-14-