N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-2-nitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-nitroaniline Traditional Name: (4-bromo-2-nitro-phenyl)-piperonyl-amine Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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