2-chloranyl-3-[[4-methyl-2-(2-methylpropanoyl)-3-oxidanylidene-pent-1-enyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[[4-methyl-2-(2-methylpropanoyl)-3-oxidanylidene-pent-1-enyl]amino]benzoic acid Openeye Name: 2-chloro-3-[[4-methyl-2-(2-methylpropanoyl)-3-oxo-pent-1-enyl]amino]benzoic acid CAS Name: 2-chloro-3-[[4-methyl-2-(2-methyl-1-oxopropyl)-3-oxopent-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[[4-methyl-2-(2-methylpropanoyl)-3-oxopent-1-enyl]amino]benzoic acid Traditional Name: 2-chloro-3-[(2-isobutyryl-3-keto-4-methyl-pent-1-enyl)amino]benzoic acid Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CNC1=CC=CC(=C1Cl)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)C(=CNC1=CC=CC(=C1Cl)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C17H20ClNO4/c1-9(2)15(20)12(16(21)10(3)4)8-19-13-7-5-6-11(14(13)18)17(22)23/h5-10,19H,1-4H3,(H,22,23)