6-chloranyl-1-(1-cyanoethyl)indole-2-carboxylic acid

Systemtic Name: 6-chloranyl-1-(1-cyanoethyl)indole-2-carboxylic acid Openeye Name: 6-chloro-1-(1-cyanoethyl)indole-2-carboxylic acid CAS Name: 6-chloro-1-(1-cyanoethyl)-2-indolecarboxylic acid IUPAC Name: 6-chloro-1-(1-cyanoethyl)indole-2-carboxylic acid Traditional Name: 6-chloro-1-(1-cyanoethyl)indole-2-carboxylic acid Formula: C12H9ClN2O2 MolecularWeight: 248.66506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C#N)N1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H9ClN2O2/c1-7(6-14)15-10-5-9(13)3-2-8(10)4-11(15)12(16)17/h2-5,7H,1H3,(H,16,17)