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

Systemtic Name: 2-[[(E)-3-[4-(carboxymethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[4-(carboxymethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[4-(carboxymethyloxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[4-(carboxymethyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[4-(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(=O)O)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O6/c20-10-13(9-12-5-7-14(8-6-12)27-11-17(22)23)18(24)21-16-4-2-1-3-15(16)19(25)26/h1-9H,11H2,(H,21,24)(H,22,23)(H,25,26)/b13-9+