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

Systemtic Name: 2-chloranyl-3-[[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2-chloro-3-[[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O4/c1-4-19(9-11(8-18)16(22)23-10(2)3)13-7-5-6-12(14(13)17)15(20)21/h5-7,9-10H,4H2,1-3H3,(H,20,21)/b11-9+