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

Systemtic Name: ethyl 4-chloranyl-3-cyano-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-chloro-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 4-chloro-3-cyano-1-(phenylmethyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-chloro-3-cyanopyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-4-chloro-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H14ClN3O2 MolecularWeight: 339.77566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1Cl)C(=CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1Cl)C(=CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H14ClN3O2/c1-2-24-18(23)14-9-21-17-15(16(14)19)13(8-20)11-22(17)10-12-6-4-3-5-7-12/h3-7,9,11H,2,10H2,1H3