methanolate; methyl 5-oxidanylidene-2-phenyl-1-(phenylmethylidene)-2H-pyrrol-1-ium-3-carboxylate

Systemtic Name: methanolate; methyl 5-oxidanylidene-2-phenyl-1-(phenylmethylidene)-2H-pyrrol-1-ium-3-carboxylate Openeye Name: methanolate; methyl 1-benzylidene-5-oxo-2-phenyl-2H-pyrrol-1-ium-3-carboxylate CAS Name: methanolate; 5-oxo-2-phenyl-1-(phenylmethylene)-2H-pyrrol-1-ium-3-carboxylic acid methyl ester IUPAC Name: methanolate; methyl 1-benzylidene-5-oxo-2-phenyl-2H-pyrrol-1-ium-3-carboxylate Traditional Name: 1-benzal-5-keto-2-phenyl-3-pyrrolin-1-ium-3-carboxylic acid methyl ester; methanolate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].COC(=O)C1=CC(=O)[N+](=CC2=CC=CC=C2)C1C3=CC=CC=C3

Isomeric SMILES

C[O-].COC(=O)C1=CC(=O)[N+](=CC2=CC=CC=C2)C1C3=CC=CC=C3

InChI

InChI=1S/C19H16NO3.CH3O/c1-23-19(22)16-12-17(21)20(13-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15;1-2/h2-13,18H,1H3;1H3/q+1;-1