(E)-3-(2-chloranyl-1-methyl-indol-3-yl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(2-chloranyl-1-methyl-indol-3-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(2-chloro-1-methyl-indol-3-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(2-chloro-1-methyl-3-indolyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(2-chloro-1-methylindol-3-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(2-chloro-1-methyl-indol-3-yl)-2-methyl-acrylic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(N(C2=CC=CC=C21)C)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(N(C2=CC=CC=C21)C)Cl)/C(=O)O

InChI

InChI=1S/C13H12ClNO2/c1-8(13(16)17)7-10-9-5-3-4-6-11(9)15(2)12(10)14/h3-7H,1-2H3,(H,16,17)/b8-7+