3,5-bis(chloranyl)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3,5-dichloro-2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3,5-dichloro-2-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3,5-dichloro-2-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3,5-dichloro-2-[2-(2-cyanoethylamino)-2-keto-ethoxy]benzoic acid Formula: C12H10Cl2N2O4 MolecularWeight: 317.1248

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)OCC(=O)NCCC#N)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)OCC(=O)NCCC#N)C(=O)O)Cl

InChI

InChI=1S/C12H10Cl2N2O4/c13-7-4-8(12(18)19)11(9(14)5-7)20-6-10(17)16-3-1-2-15/h4-5H,1,3,6H2,(H,16,17)(H,18,19)