[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CC(C)CCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-10(2)4-7-15(20)22-11(3)16(21)19-13-6-5-12(9-18)14(17)8-13/h5-6,8,10-11H,4,7H2,1-3H3,(H,19,21)