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

Systemtic Name: 2-chloranyl-3-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-ethoxycarbonyl-3-oxo-but-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-ethylamino]benzoic acid Traditional Name: 3-[[(E)-2-carbethoxy-3-keto-but-1-enyl]-ethyl-amino]-2-chloro-benzoic acid Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(/C=C(\C(=O)C)/C(=O)OCC)C1=CC=CC(=C1Cl)C(=O)O

InChI

InChI=1S/C16H18ClNO5/c1-4-18(9-12(10(3)19)16(22)23-5-2)13-8-6-7-11(14(13)17)15(20)21/h6-9H,4-5H2,1-3H3,(H,20,21)/b12-9+