4-bromanyl-N-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline

Systemtic Name: 4-bromanyl-N-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: 4-bromo-N-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline CAS Name: 4-bromo-N-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline IUPAC Name: 4-bromo-N-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Traditional Name: (4-bromophenyl)-[diphenoxyphosphoryl-(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C26H20BrN2O7P MolecularWeight: 583.323961

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(NC3=CC=C(C=C3)Br)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(NC3=CC=C(C=C3)Br)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20BrN2O7P/c27-18-11-13-19(14-12-18)28-26(22-15-24-25(34-17-33-24)16-23(22)29(30)31)37(32,35-20-7-3-1-4-8-20)36-21-9-5-2-6-10-21/h1-16,26,28H,17H2