methyl 2-[4-cyano-5-(1-methylpyrrol-1-ium-1-yl)-3,5-bis(oxidanylidene)-1-phenoxy-pentan-2-yl]oxy-1-methyl-pyrrole-3-carboxylate

Systemtic Name: methyl 2-[4-cyano-5-(1-methylpyrrol-1-ium-1-yl)-3,5-bis(oxidanylidene)-1-phenoxy-pentan-2-yl]oxy-1-methyl-pyrrole-3-carboxylate Openeye Name: methyl 2-[3-cyano-4-(1-methylpyrrol-1-ium-1-yl)-2,4-dioxo-1-(phenoxymethyl)butoxy]-1-methyl-pyrrole-3-carboxylate CAS Name: 2-[4-cyano-5-(1-methyl-1-pyrrol-1-iumyl)-3,5-dioxo-1-phenoxypentan-2-yl]oxy-1-methyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-cyano-5-(1-methylpyrrol-1-ium-1-yl)-3,5-dioxo-1-phenoxypentan-2-yl]oxy-1-methylpyrrole-3-carboxylate Traditional Name: 2-[3-cyano-2,4-diketo-4-(1-methylpyrrol-1-ium-1-yl)-1-(phenoxymethyl)butoxy]-1-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C24H24N3O6+ MolecularWeight: 450.46386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1OC(COC2=CC=CC=C2)C(=O)C(C#N)C(=O)[N+]3(C=CC=C3)C)C(=O)OC

Isomeric SMILES

CN1C=CC(=C1OC(COC2=CC=CC=C2)C(=O)C(C#N)C(=O)[N+]3(C=CC=C3)C)C(=O)OC

InChI

InChI=1S/C24H24N3O6/c1-26-12-11-18(24(30)31-3)22(26)33-20(16-32-17-9-5-4-6-10-17)21(28)19(15-25)23(29)27(2)13-7-8-14-27/h4-14,19-20H,16H2,1-3H3/q+1