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

Systemtic Name: 2-[[(E)-3-[2-bromanyl-4-(2-hydroxyethyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[2-bromo-4-(2-hydroxyethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[2-bromo-4-(2-hydroxyethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[2-bromo-4-(2-hydroxyethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[2-bromo-4-(2-hydroxyethoxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=C(C=C(C=C2)OCCO)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O5/c20-16-10-14(27-8-7-23)6-5-12(16)9-13(11-21)18(24)22-17-4-2-1-3-15(17)19(25)26/h1-6,9-10,23H,7-8H2,(H,22,24)(H,25,26)/b13-9+