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

Systemtic Name: 2,5-bis(chloranyl)-3-[[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2,5-dichloro-3-[[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C14H12Cl2N2O4 MolecularWeight: 343.16208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12Cl2N2O4/c1-3-18(7-8(6-17)14(21)22-2)11-5-9(15)4-10(12(11)16)13(19)20/h4-5,7H,3H2,1-2H3,(H,19,20)/b8-7+