ethyl (2S)-3-azanylidene-4,4,4-tris(chloranyl)-2-(phenylcarbonyl)butanoate

Systemtic Name: ethyl (2S)-3-azanylidene-4,4,4-tris(chloranyl)-2-(phenylcarbonyl)butanoate Openeye Name: ethyl (2S)-2-benzoyl-4,4,4-trichloro-3-imino-butanoate CAS Name: (2S)-2-benzoyl-4,4,4-trichloro-3-iminobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzoyl-4,4,4-trichloro-3-iminobutanoate Traditional Name: (2S)-2-benzoyl-4,4,4-trichloro-3-imino-butyric acid ethyl ester Formula: C13H12Cl3NO3 MolecularWeight: 336.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=N)C(Cl)(Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C1=CC=CC=C1)C(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H12Cl3NO3/c1-2-20-12(19)9(11(17)13(14,15)16)10(18)8-6-4-3-5-7-8/h3-7,9,17H,2H2,1H3/t9-/m1/s1