3-[[(E)-3-(5-bromanyl-2-prop-2-enoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-3-(5-bromanyl-2-prop-2-enoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(2-allyloxy-5-bromo-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(2-allyloxy-5-bromo-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H15BrN2O4/c1-2-8-27-18-7-6-16(21)10-14(18)9-15(12-22)19(24)23-17-5-3-4-13(11-17)20(25)26/h2-7,9-11H,1,8H2,(H,23,24)(H,25,26)/b15-9+