N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-nitrophenyl)ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-nitrophenyl)ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-nitrophenyl)ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-nitrophenyl)ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-nitrophenyl)ethanamine Traditional Name: methyl-[1-(3-nitrophenyl)ethyl]-piperonyl-amine Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O4/c1-12(14-4-3-5-15(9-14)19(20)21)18(2)10-13-6-7-16-17(8-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3