3-acetamido-4-chloranyl-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-acetamido-4-chloranyl-1-methyl-indole-2-carboxylic acid Openeye Name: 3-acetamido-4-chloro-1-methyl-indole-2-carboxylic acid CAS Name: 3-acetamido-4-chloro-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-acetamido-4-chloro-1-methylindole-2-carboxylic acid Traditional Name: 3-acetamido-4-chloro-1-methyl-indole-2-carboxylic acid Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=C1C(=CC=C2)Cl)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(N(C2=C1C(=CC=C2)Cl)C)C(=O)O

InChI

InChI=1S/C12H11ClN2O3/c1-6(16)14-10-9-7(13)4-3-5-8(9)15(2)11(10)12(17)18/h3-5H,1-2H3,(H,14,16)(H,17,18)