N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-phenylethanamine IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-phenylethanamine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethyl-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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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