(2S)-2-[[4-chloranyl-2-(dimethylaminomethylideneamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-2-(dimethylaminomethylideneamino)phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[4-chloro-2-(dimethylaminomethyleneamino)benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[[4-chloro-2-(dimethylaminomethylideneamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-chloro-2-(dimethylaminomethylideneamino)benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-chloro-2-(dimethylaminomethyleneamino)benzoyl]amino]propionic acid Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)N=CN(C)C

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)N=CN(C)C

InChI

InChI=1S/C13H16ClN3O3/c1-8(13(19)20)16-12(18)10-5-4-9(14)6-11(10)15-7-17(2)3/h4-8H,1-3H3,(H,16,18)(H,19,20)/t8-/m0/s1