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

Systemtic Name: ethyl 1-(cyanomethyl)-2,4-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)pyrrolo[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 3-benzoyl-1-(cyanomethyl)-2,4-dimethyl-7-oxo-pyrrolo[3,2-b]pyridine-6-carboxylate CAS Name: 3-benzoyl-1-(cyanomethyl)-2,4-dimethyl-7-oxo-6-pyrrolo[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(cyanomethyl)-2,4-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylate Traditional Name: 3-benzoyl-1-(cyanomethyl)-7-keto-2,4-dimethyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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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)CC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-4-28-21(27)15-12-23(3)17-16(19(25)14-8-6-5-7-9-14)13(2)24(11-10-22)18(17)20(15)26/h5-9,12H,4,11H2,1-3H3