2,3,3-tris(chloranyl)prop-2-enyl 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: 2,3,3-tris(chloranyl)prop-2-enyl 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: 2,3,3-trichloroallyl 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid 2,3,3-trichloroprop-2-enyl ester IUPAC Name: 2,3,3-trichloroprop-2-enyl 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid 2,3,3-trichloroallyl ester Formula: C13H12Cl3NO3 MolecularWeight: 336.59828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=C(Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=C(Cl)Cl)Cl

InChI

InChI=1S/C13H12Cl3NO3/c14-10(13(15)16)8-20-12(19)7-6-11(18)17-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)