(3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1COC2=C(O1)C=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)Br

Isomeric SMILES

C/C(=N\NC(=O)[C@@H]1COC2=C(O1)C=C(C=C2)C(C)(C)C)/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O3/c1-13(14-6-5-7-16(22)10-14)23-24-20(25)19-12-26-17-9-8-15(21(2,3)4)11-18(17)27-19/h5-11,19H,12H2,1-4H3,(H,24,25)/b23-13+/t19-/m0/s1