2,5-bis(chloranyl)-3-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-ethyl-amino]benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2,5-dichloro-3-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C15H14Cl2N2O4 MolecularWeight: 357.18866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N2O4/c1-3-19(8-9(7-18)15(22)23-4-2)12-6-10(16)5-11(13(12)17)14(20)21/h5-6,8H,3-4H2,1-2H3,(H,20,21)/b9-8+