3-[(2-butanoyl-3-oxidanylidene-hex-1-enyl)amino]-2-chloranyl-benzoic acid

Systemtic Name: 3-[(2-butanoyl-3-oxidanylidene-hex-1-enyl)amino]-2-chloranyl-benzoic acid Openeye Name: 3-[(2-butanoyl-3-oxo-hex-1-enyl)amino]-2-chloro-benzoic acid CAS Name: 2-chloro-3-[[3-oxo-2-(1-oxobutyl)hex-1-enyl]amino]benzoic acid IUPAC Name: 3-[(2-butanoyl-3-oxohex-1-enyl)amino]-2-chlorobenzoic acid Traditional Name: 3-[(2-butyryl-3-keto-hex-1-enyl)amino]-2-chloro-benzoic acid Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4/c1-3-6-14(20)12(15(21)7-4-2)10-19-13-9-5-8-11(16(13)18)17(22)23/h5,8-10,19H,3-4,6-7H2,1-2H3,(H,22,23)