3-(carboxymethyl)-6-chloranyl-3-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-6-chloranyl-3-ethyl-indole-2-carboxylic acid Openeye Name: 3-(carboxymethyl)-6-chloro-3-ethyl-indole-2-carboxylic acid CAS Name: 3-(carboxymethyl)-6-chloro-3-ethyl-2-indolecarboxylic acid IUPAC Name: 3-(carboxymethyl)-6-chloro-3-ethylindole-2-carboxylic acid Traditional Name: 3-(carboxymethyl)-6-chloro-3-ethyl-indole-2-carboxylic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)Cl)N=C1C(=O)O)CC(=O)O

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)Cl)N=C1C(=O)O)CC(=O)O

InChI

InChI=1S/C13H12ClNO4/c1-2-13(6-10(16)17)8-4-3-7(14)5-9(8)15-11(13)12(18)19/h3-5H,2,6H2,1H3,(H,16,17)(H,18,19)