ethyl 4-(cyanomethyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-(cyanomethyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-(cyanomethyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(cyanomethyl)-1-methyl-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(cyanomethyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC#N)C=CN2C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC#N)C=CN2C

InChI

InChI=1S/C12H13N3O2/c1-3-17-12(16)11-8-10-9(4-6-14(10)2)15(11)7-5-13/h4,6,8H,3,7H2,1-2H3