2,5-bis(chloranyl)-3-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]-ethyl-amino]benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(E)-2-ethoxycarbonyl-3-oxo-but-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-ethylamino]benzoic acid Traditional Name: 3-[[(E)-2-carbethoxy-3-keto-but-1-enyl]-ethyl-amino]-2,5-dichloro-benzoic acid Formula: C16H17Cl2NO5 MolecularWeight: 374.21588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2NO5/c1-4-19(8-12(9(3)20)16(23)24-5-2)13-7-10(17)6-11(14(13)18)15(21)22/h6-8H,4-5H2,1-3H3,(H,21,22)/b12-8+