N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dinitro-aniline

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dinitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dinitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-homopiperonyl-amine Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c19-17(20)11-2-3-12(13(8-11)18(21)22)16-6-5-10-1-4-14-15(7-10)24-9-23-14/h1-4,7-8,16H,5-6,9H2