N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-methoxy-3-nitro-phenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-methoxy-3-nitro-phenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-methoxy-3-nitro-phenyl)methyl]ethane-1,2-diamine CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-methoxy-3-nitrophenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-methoxy-3-nitrophenyl)methyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-(4-methoxy-3-nitro-benzyl)-piperonyl-amine Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCN)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCN)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-24-16-4-2-13(8-15(16)21(22)23)10-20(7-6-19)11-14-3-5-17-18(9-14)26-12-25-17/h2-5,8-9H,6-7,10-12,19H2,1H3