N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)ethanamine Traditional Name: 2-(4-nitrophenyl)ethyl-piperonyl-amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-18(20)14-4-1-12(2-5-14)7-8-17-10-13-3-6-15-16(9-13)22-11-21-15/h1-6,9,17H,7-8,10-11H2