3-[[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[(6,8-dibromo-2-oxo-chromene-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(6,8-dibromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6,8-dibromo-2-oxochromene-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(6,8-dibromo-2-keto-chromene-3-carbonyl)amino]benzoic acid Formula: C17H9Br2NO5 MolecularWeight: 467.06506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)C(=O)O

InChI

InChI=1S/C17H9Br2NO5/c18-10-4-9-6-12(17(24)25-14(9)13(19)7-10)15(21)20-11-3-1-2-8(5-11)16(22)23/h1-7H,(H,20,21)(H,22,23)