N-[(4-bromanyl-3-nitro-phenyl)methyl]-1,3-benzodioxol-5-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

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