4-chloranyl-3-(cyanomethyl)indole-1-carboxylic acid

Systemtic Name: 4-chloranyl-3-(cyanomethyl)indole-1-carboxylic acid Openeye Name: 4-chloro-3-(cyanomethyl)indole-1-carboxylic acid CAS Name: 4-chloro-3-(cyanomethyl)-1-indolecarboxylic acid IUPAC Name: 4-chloro-3-(cyanomethyl)indole-1-carboxylic acid Traditional Name: 4-chloro-3-(cyanomethyl)indole-1-carboxylic acid Formula: C11H7ClN2O2 MolecularWeight: 234.63848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=CN2C(=O)O)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=CN2C(=O)O)CC#N

InChI

InChI=1S/C11H7ClN2O2/c12-8-2-1-3-9-10(8)7(4-5-13)6-14(9)11(15)16/h1-3,6H,4H2,(H,15,16)