3-(cyanomethyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(cyanomethyl)-1H-indole-5-carboxylic acid CAS Name: 3-(cyanomethyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(cyanomethyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(cyanomethyl)-1H-indole-5-carboxylic acid Formula: C11H8N2O2 MolecularWeight: 200.19342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=CN2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=CN2)CC#N

InChI

InChI=1S/C11H8N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3H2,(H,14,15)