2,3,3-tris(chloranyl)prop-2-enyl 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate

Systemtic Name: 2,3,3-tris(chloranyl)prop-2-enyl 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate Openeye Name: 2,3,3-trichloroallyl 5-(benzylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[(phenylmethyl)amino]pentanoic acid 2,3,3-trichloroprop-2-enyl ester IUPAC Name: 2,3,3-trichloroprop-2-enyl 5-(benzylamino)-5-oxopentanoate Traditional Name: 5-(benzylamino)-5-keto-valeric acid 2,3,3-trichloroallyl ester Formula: C15H16Cl3NO3 MolecularWeight: 364.65144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl

InChI

InChI=1S/C15H16Cl3NO3/c16-12(15(17)18)10-22-14(21)8-4-7-13(20)19-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,19,20)