2-[1-[(E)-3-chloranylprop-2-enyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(E)-3-chloranylprop-2-enyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(E)-3-chloroallyl]indol-3-yl]acetic acid CAS Name: 2-[1-[(E)-3-chloroprop-2-enyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[(E)-3-chloroprop-2-enyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[(E)-3-chloroallyl]indol-3-yl]acetic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC=CCl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C/C=C/Cl)CC(=O)O

InChI

InChI=1S/C13H12ClNO2/c14-6-3-7-15-9-10(8-13(16)17)11-4-1-2-5-12(11)15/h1-6,9H,7-8H2,(H,16,17)/b6-3+