2,5-bis(chloranyl)-3-[[(Z)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]amino]benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[[(Z)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(Z)-2-methoxycarbonyl-3-oxo-but-1-enyl]amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(Z)-2-methoxycarbonyl-3-oxobut-1-enyl]amino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(Z)-2-methoxycarbonyl-3-oxobut-1-enyl]amino]benzoic acid Traditional Name: 3-[[(Z)-2-carbomethoxy-3-keto-but-1-enyl]amino]-2,5-dichloro-benzoic acid Formula: C13H11Cl2NO5 MolecularWeight: 332.13614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC1=C(C(=CC(=C1)Cl)C(=O)O)Cl)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C/NC1=C(C(=CC(=C1)Cl)C(=O)O)Cl)/C(=O)OC

InChI

InChI=1S/C13H11Cl2NO5/c1-6(17)9(13(20)21-2)5-16-10-4-7(14)3-8(11(10)15)12(18)19/h3-5,16H,1-2H3,(H,18,19)/b9-5-