quinolin-8-yl 3,4,4-tris(chloranyl)but-3-enoate

Systemtic Name: quinolin-8-yl 3,4,4-tris(chloranyl)but-3-enoate Openeye Name: 8-quinolyl 3,4,4-trichlorobut-3-enoate CAS Name: 3,4,4-trichloro-3-butenoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3,4,4-trichlorobut-3-enoate Traditional Name: 3,4,4-trichlorobut-3-enoic acid 8-quinolyl ester Formula: C13H8Cl3NO2 MolecularWeight: 316.56712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)CC(=C(Cl)Cl)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)CC(=C(Cl)Cl)Cl)N=CC=C2

InChI

InChI=1S/C13H8Cl3NO2/c14-9(13(15)16)7-11(18)19-10-5-1-3-8-4-2-6-17-12(8)10/h1-6H,7H2