2,6-bis(chloranyl)-3-[[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-methyl-amino]benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-[[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-methyl-amino]benzoic acid Openeye Name: 2,6-dichloro-3-[[(E)-2-methoxycarbonyl-3-oxo-but-1-enyl]-methyl-amino]benzoic acid CAS Name: 2,6-dichloro-3-[[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-methylamino]benzoic acid IUPAC Name: 2,6-dichloro-3-[[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-methylamino]benzoic acid Traditional Name: 3-[[(E)-2-carbomethoxy-3-keto-but-1-enyl]-methyl-amino]-2,6-dichloro-benzoic acid Formula: C14H13Cl2NO5 MolecularWeight: 346.16272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\N(C)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl)/C(=O)OC

InChI

InChI=1S/C14H13Cl2NO5/c1-7(18)8(14(21)22-3)6-17(2)10-5-4-9(15)11(12(10)16)13(19)20/h4-6H,1-3H3,(H,19,20)/b8-6+