3-(2-carboxyethyl)-4,6-bis(chloranyl)-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-4,6-bis(chloranyl)-1-methyl-indole-2-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-4,6-dichloro-1-methyl-indole-2-carboxylic acid CAS Name: 3-(2-carboxyethyl)-4,6-dichloro-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-4,6-dichloro-1-methylindole-2-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4,6-dichloro-1-methyl-indole-2-carboxylic acid Formula: C13H11Cl2NO4 MolecularWeight: 316.13674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C(=C1C(=O)O)CCC(=O)O)Cl)Cl

Isomeric SMILES

CN1C2=CC(=CC(=C2C(=C1C(=O)O)CCC(=O)O)Cl)Cl

InChI

InChI=1S/C13H11Cl2NO4/c1-16-9-5-6(14)4-8(15)11(9)7(2-3-10(17)18)12(16)13(19)20/h4-5H,2-3H2,1H3,(H,17,18)(H,19,20)