N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitro-benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)-5-nitro-benzamide Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H14BrN3O5/c1-18-12-3-2-9(20(22)23)6-10(12)16(21)19-13-8-15-14(7-11(13)17)24-4-5-25-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,21)