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

Systemtic Name: 2-chloranyl-3-[[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-ethyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-ethyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-ethylamino]benzoic acid Traditional Name: 2-chloro-3-[[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-ethyl-amino]benzoic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O4/c1-3-17(8-9(7-16)14(20)21-2)11-6-4-5-10(12(11)15)13(18)19/h4-6,8H,3H2,1-2H3,(H,18,19)/b9-8+