2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-amino]acetic acid CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylamino]acetic acid Traditional Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-amino]acetic acid Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=C(C=C1)C#N)Cl)CC(=O)O

Isomeric SMILES

CN(CC(=O)NC1=CC(=C(C=C1)C#N)Cl)CC(=O)O

InChI

InChI=1S/C12H12ClN3O3/c1-16(7-12(18)19)6-11(17)15-9-3-2-8(5-14)10(13)4-9/h2-4H,6-7H2,1H3,(H,15,17)(H,18,19)