4-[[(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C21H19BrN2O5/c1-3-8-29-19-17(22)10-13(11-18(19)28-2)9-15(12-23)20(25)24-16-6-4-14(5-7-16)21(26)27/h4-7,9-11H,3,8H2,1-2H3,(H,24,25)(H,26,27)/b15-9+