ethyl 3-cyano-4-oxidanylidene-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-cyano-4-oxidanylidene-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-3-cyano-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 3-cyano-4-oxo-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-cyano-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-3-cyano-4-keto-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C(=CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C(=CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H15N3O3/c1-2-24-18(23)14-9-20-17-15(16(14)22)13(8-19)11-21(17)10-12-6-4-3-5-7-12/h3-7,9,11H,2,10H2,1H3,(H,20,22)