N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C14H9BrN4O6 MolecularWeight: 409.14846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H9BrN4O6/c15-10-5-14-13(24-7-25-14)3-8(10)6-16-17-11-2-1-9(18(20)21)4-12(11)19(22)23/h1-6,17H,7H2/b16-6+