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

Systemtic Name: 2-chloranyl-3-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)-ethyl-amino]benzoic acid Openeye Name: 3-[(2-acetyl-3-oxo-but-1-enyl)-ethyl-amino]-2-chloro-benzoic acid CAS Name: 3-[(2-acetyl-3-oxobut-1-enyl)-ethylamino]-2-chlorobenzoic acid IUPAC Name: 3-[(2-acetyl-3-oxobut-1-enyl)-ethylamino]-2-chlorobenzoic acid Traditional Name: 3-[(2-acetyl-3-keto-but-1-enyl)-ethyl-amino]-2-chloro-benzoic acid Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4/c1-4-17(8-12(9(2)18)10(3)19)13-7-5-6-11(14(13)16)15(20)21/h5-8H,4H2,1-3H3,(H,20,21)