methyl 2-chloranyl-5-[[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CNC1=CC(=C(C=C1)Cl)C(=O)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CNC1=CC(=C(C=C1)Cl)C(=O)OC

InChI

InChI=1S/C16H20ClN3O3/c1-10(2)16(3,9-18)20-14(21)8-19-11-5-6-13(17)12(7-11)15(22)23-4/h5-7,10,19H,8H2,1-4H3,(H,20,21)