ethyl (E)-5-(4-chlorophenyl)-2-methyl-4-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pent-3-enoate cyanide

Systemtic Name: ethyl (E)-5-(4-chlorophenyl)-2-methyl-4-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pent-3-enoate cyanide Openeye Name: ethyl (E)-5-(4-chlorophenyl)-2-methyl-4-(4-methylpyridin-1-ium-1-yl)-5-oxo-pent-3-enoate cyanide CAS Name: (E)-5-(4-chlorophenyl)-2-methyl-4-(4-methyl-1-pyridin-1-iumyl)-5-oxo-3-pentenoic acid ethyl ester cyanide IUPAC Name: ethyl (E)-5-(4-chlorophenyl)-2-methyl-4-(4-methylpyridin-1-ium-1-yl)-5-oxopent-3-enoate cyanide Traditional Name: (E)-5-(4-chlorophenyl)-5-keto-2-methyl-4-(4-methylpyridin-1-ium-1-yl)pent-3-enoic acid ethyl ester cyanide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C=C(C(=O)C1=CC=C(C=C1)Cl)[N+]2=CC=C(C=C2)C.[C-]#N

Isomeric SMILES

CCOC(=O)C(C)/C=C(\C(=O)C1=CC=C(C=C1)Cl)/[N+]2=CC=C(C=C2)C.[C-]#N

InChI

InChI=1S/C20H21ClNO3.CN/c1-4-25-20(24)15(3)13-18(22-11-9-14(2)10-12-22)19(23)16-5-7-17(21)8-6-16;1-2/h5-13,15H,4H2,1-3H3;/q+1;-1/b18-13+;