ethyl 1,2-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylate CAS Name: 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynylpyrrolo[3,2-b]pyridine-6-carboxylate Traditional Name: 3-benzoyl-7-keto-1,2-dimethyl-4-propargyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)C)CC#C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)C)CC#C

InChI

InChI=1S/C22H20N2O4/c1-5-12-24-13-16(22(27)28-6-2)21(26)19-18(24)17(14(3)23(19)4)20(25)15-10-8-7-9-11-15/h1,7-11,13H,6,12H2,2-4H3