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

Systemtic Name: 2-chloranyl-3-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2-chloro-3-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C#N)C(=O)OCC)C1=CC=CC(=C1Cl)C(=O)O

Isomeric SMILES

CCN(/C=C(\C#N)/C(=O)OCC)C1=CC=CC(=C1Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O4/c1-3-18(9-10(8-17)15(21)22-4-2)12-7-5-6-11(13(12)16)14(19)20/h5-7,9H,3-4H2,1-2H3,(H,19,20)/b10-9+