4-[(4-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid

Systemtic Name: 4-[(4-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid Openeye Name: 4-[(4-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid CAS Name: 4-[(4-cyanophenyl)methyl]-1-methyl-5-pyrrolo[3,2-b]pyrrolecarboxylic acid IUPAC Name: 4-[(4-cyanophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylic acid Traditional Name: 4-(4-cyanobenzyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=C(N2CC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CN1C=CC2=C1C=C(N2CC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C16H13N3O2/c1-18-7-6-13-14(18)8-15(16(20)21)19(13)10-12-4-2-11(9-17)3-5-12/h2-8H,10H2,1H3,(H,20,21)