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

Systemtic Name: 2,5-bis(chloranyl)-3-[[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2,5-dichloro-3-[[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2,5-dichloro-3-[[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2,5-dichloro-3-[[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2,5-dichloro-3-[[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C16H16Cl2N2O4 MolecularWeight: 371.21524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O4/c1-4-20(8-10(7-19)16(23)24-9(2)3)13-6-11(17)5-12(14(13)18)15(21)22/h5-6,8-9H,4H2,1-3H3,(H,21,22)/b10-8+