(3S)-N-(2-bromanyl-4-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(2-bromanyl-4-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(2-bromo-4-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(2-bromo-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(2-bromo-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(2-bromo-4-nitro-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C15H11BrN2O5 MolecularWeight: 379.16224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H11BrN2O5/c16-10-7-9(18(20)21)5-6-11(10)17-15(19)14-8-22-12-3-1-2-4-13(12)23-14/h1-7,14H,8H2,(H,17,19)/t14-/m0/s1