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

Systemtic Name: 4-bromanyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: 4-bromo-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline CAS Name: 4-bromo-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline IUPAC Name: 4-bromo-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Traditional Name: (4-bromophenyl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O4/c15-10-1-3-11(4-2-10)16-7-9-5-13-14(21-8-20-13)6-12(9)17(18)19/h1-6,16H,7-8H2