(3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H17BrN2O4 MolecularWeight: 405.24258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H17BrN2O4/c1-11-8-12(19)6-7-13(11)21-17(22)9-20-18(23)16-10-24-14-4-2-3-5-15(14)25-16/h2-8,16H,9-10H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1