methyl 4-chloranyl-3-[(2,4,4-trimethyl-3-oxidanylidene-pentanoyl)amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2,4,4-trimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: methyl 4-chloro-3-[(2,4,4-trimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3-[(2,4,4-trimethyl-1,3-dioxopentyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2,4,4-trimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-keto-2,4,4-trimethyl-pentanoyl)amino]benzoic acid methyl ester Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)(C)C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

Isomeric SMILES

CC(C(=O)C(C)(C)C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

InChI

InChI=1S/C16H20ClNO4/c1-9(13(19)16(2,3)4)14(20)18-12-8-10(15(21)22-5)6-7-11(12)17/h6-9H,1-5H3,(H,18,20)