ethyl 1-(cyanomethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4H-pyrrolo[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 1-(cyanomethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4H-pyrrolo[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylate CAS Name: 3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylate Traditional Name: 3-benzoyl-1-(cyanomethyl)-7-keto-2-methyl-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)CC#N

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)CC#N

InChI

InChI=1S/C20H17N3O4/c1-3-27-20(26)14-11-22-16-15(18(24)13-7-5-4-6-8-13)12(2)23(10-9-21)17(16)19(14)25/h4-8,11H,3,10H2,1-2H3,(H,22,25)