1-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(3-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(3-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)O

InChI

InChI=1S/C14H12N2O2/c1-9-6-13(14(17)18)10(2)16(9)12-5-3-4-11(7-12)8-15/h3-7H,1-2H3,(H,17,18)