2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]terephthalic acid Formula: C19H18BrNO7 MolecularWeight: 452.25272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO7/c1-3-6-28-16-13(20)7-11(9-15(16)27-2)17(22)21-14-8-10(18(23)24)4-5-12(14)19(25)26/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)