1,3-benzodioxol-5-yl-(2-methyl-5-nitro-phenyl)methanamine

Systemtic Name: 1,3-benzodioxol-5-yl-(2-methyl-5-nitro-phenyl)methanamine Openeye Name: 1,3-benzodioxol-5-yl-(2-methyl-5-nitro-phenyl)methanamine CAS Name: 1,3-benzodioxol-5-yl-(2-methyl-5-nitrophenyl)methanamine IUPAC Name: 1,3-benzodioxol-5-yl-(2-methyl-5-nitrophenyl)methanamine Traditional Name: [1,3-benzodioxol-5-yl-(2-methyl-5-nitro-phenyl)methyl]amine Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H14N2O4/c1-9-2-4-11(17(18)19)7-12(9)15(16)10-3-5-13-14(6-10)21-8-20-13/h2-7,15H,8,16H2,1H3