4-[[(3R)-6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(3R)-6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoate Openeye Name: 4-[[(3R)-6-bromo-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(3R)-6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-6-bromo-1-keto-isochroman-3-carbonyl]amino]benzoate Formula: C17H11BrNO5- MolecularWeight: 389.17694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO5/c18-11-3-6-13-10(7-11)8-14(24-17(13)23)15(20)19-12-4-1-9(2-5-12)16(21)22/h1-7,14H,8H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1