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

Systemtic Name: 2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O3/c1-8(2)13(14(20)21)17-7-12(19)18-10-4-3-9(6-16)11(15)5-10/h3-5,8,13,17H,7H2,1-2H3,(H,18,19)(H,20,21)