1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]methanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]methanamine Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-piperonyl-amine Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O6/c1-22-15-6-12(13(19(20)21)7-16(15)23-2)9-18-8-11-3-4-14-17(5-11)25-10-24-14/h3-7,18H,8-10H2,1-2H3