5-bromanyl-2-[(3,5-dimethoxyphenyl)carbamoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3,5-dimethoxyphenyl)carbamoylamino]benzoic acid Openeye Name: 5-bromo-2-[(3,5-dimethoxyphenyl)carbamoylamino]benzoic acid CAS Name: 5-bromo-2-[[(3,5-dimethoxyanilino)-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3,5-dimethoxyphenyl)carbamoylamino]benzoic acid Traditional Name: 5-bromo-2-[(3,5-dimethoxyphenyl)carbamoylamino]benzoic acid Formula: C16H15BrN2O5 MolecularWeight: 395.2047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O5/c1-23-11-6-10(7-12(8-11)24-2)18-16(22)19-14-4-3-9(17)5-13(14)15(20)21/h3-8H,1-2H3,(H,20,21)(H2,18,19,22)