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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C(=CC(=C1)Cl)C(=O)O)Cl)C#N

Isomeric SMILES

CCOC(=O)/C(=C\NC1=C(C(=CC(=C1)Cl)C(=O)O)Cl)/C#N

InChI

InChI=1S/C13H10Cl2N2O4/c1-2-21-13(20)7(5-16)6-17-10-4-8(14)3-9(11(10)15)12(18)19/h3-4,6,17H,2H2,1H3,(H,18,19)/b7-6-