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

Systemtic Name: 2,5-bis(chloranyl)-3-[[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-methyl-amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-methyl-amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-methylamino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-methylamino]benzoic acid Traditional Name: 2,5-dichloro-3-[[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-methyl-amino]benzoic acid Formula: C13H10Cl2N2O4 MolecularWeight: 329.1355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2O4/c1-17(6-7(5-16)13(20)21-2)10-4-8(14)3-9(11(10)15)12(18)19/h3-4,6H,1-2H3,(H,18,19)/b7-6+