2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C18H14BrNO6 MolecularWeight: 420.21086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14BrNO6/c1-26-15-6-4-12(19)8-10(15)3-7-16(21)20-14-9-11(17(22)23)2-5-13(14)18(24)25/h2-9H,1H3,(H,20,21)(H,22,23)(H,24,25)/b7-3+