4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[2-(carboxymethyloxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C19H14N2O6/c20-10-14(9-13-3-1-2-4-16(13)27-11-17(22)23)18(24)21-15-7-5-12(6-8-15)19(25)26/h1-9H,11H2,(H,21,24)(H,22,23)(H,25,26)/b14-9+