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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-nitroaniline Traditional Name: (4-methyl-3-nitro-phenyl)-piperonyl-amine Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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