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

Systemtic Name: 2-chloranyl-3-[[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-methyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-methyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-methylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-methylamino]benzoic acid Traditional Name: 2-chloro-3-[[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-methyl-amino]benzoic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4/c1-16(7-8(6-15)13(19)20-2)10-5-3-4-9(11(10)14)12(17)18/h3-5,7H,1-2H3,(H,17,18)/b8-7+