(E)-3-[5,6-bis(chloranyl)-2-ethoxycarbonyl-1H-indol-3-yl]-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5,6-bis(chloranyl)-2-ethoxycarbonyl-1H-indol-3-yl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(5,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-(5,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(5,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)-2-phenylprop-2-enoic acid Traditional Name: (E)-3-(2-carbethoxy-5,6-dichloro-1H-indol-3-yl)-2-phenyl-acrylic acid Formula: C20H15Cl2NO4 MolecularWeight: 404.2434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)Cl)Cl)C=C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)Cl)Cl)/C=C(\C3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C20H15Cl2NO4/c1-2-27-20(26)18-14(13-9-15(21)16(22)10-17(13)23-18)8-12(19(24)25)11-6-4-3-5-7-11/h3-10,23H,2H2,1H3,(H,24,25)/b12-8+