2-chloranyl-3-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)-methyl-amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)-methyl-amino]benzoic acid Openeye Name: 3-[(2-acetyl-3-oxo-but-1-enyl)-methyl-amino]-2-chloro-benzoic acid CAS Name: 3-[(2-acetyl-3-oxobut-1-enyl)-methylamino]-2-chlorobenzoic acid IUPAC Name: 3-[(2-acetyl-3-oxobut-1-enyl)-methylamino]-2-chlorobenzoic acid Traditional Name: 3-[(2-acetyl-3-keto-but-1-enyl)-methyl-amino]-2-chloro-benzoic acid Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)C

Isomeric SMILES

CC(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)C

InChI

InChI=1S/C14H14ClNO4/c1-8(17)11(9(2)18)7-16(3)12-6-4-5-10(13(12)15)14(19)20/h4-7H,1-3H3,(H,19,20)