dimethyl 1-(3-ethoxy-2-oxidanyl-3-oxidanylidene-propanoyl)-4-prop-1-en-2-yl-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate

Systemtic Name: dimethyl 1-(3-ethoxy-2-oxidanyl-3-oxidanylidene-propanoyl)-4-prop-1-en-2-yl-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate Openeye Name: dimethyl 1-(3-ethoxy-2-hydroxy-3-oxo-propanoyl)-4-isopropenyl-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate CAS Name: 1-(3-ethoxy-2-hydroxy-1,3-dioxopropyl)-4-(1-methylethenyl)pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-ethoxy-2-hydroxy-3-oxopropanoyl)-4-prop-1-en-2-ylpyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate Traditional Name: 1-(3-ethoxy-2-hydroxy-3-keto-propanoyl)-4-isopropenyl-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylic acid dimethyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=C(C(=C2N1C3=CC=CC=C3N2C(=C)C)C(=O)OC)C(=O)OC)O

Isomeric SMILES

CCOC(=O)C(C(=O)C1=C(C(=C2N1C3=CC=CC=C3N2C(=C)C)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C22H22N2O8/c1-6-32-22(29)18(26)17(25)16-14(20(27)30-4)15(21(28)31-5)19-23(11(2)3)12-9-7-8-10-13(12)24(16)19/h7-10,18,26H,2,6H2,1,3-5H3