1-(cyanomethyl)indole-4-carboxylic acid

Systemtic Name: 1-(cyanomethyl)indole-4-carboxylic acid Openeye Name: 1-(cyanomethyl)indole-4-carboxylic acid CAS Name: 1-(cyanomethyl)-4-indolecarboxylic acid IUPAC Name: 1-(cyanomethyl)indole-4-carboxylic acid Traditional Name: 1-(cyanomethyl)indole-4-carboxylic acid Formula: C11H8N2O2 MolecularWeight: 200.19342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN(C2=C1)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=C2C=CN(C2=C1)CC#N)C(=O)O

InChI

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