1-(2,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine

Systemtic Name: 1-(2,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine Openeye Name: 1-(2,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine CAS Name: 1-(2,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine IUPAC Name: 1-(2,4-dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine Traditional Name: (2,4-dimethoxybenzyl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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