1-[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[3-nitro-4-(piperonylamino)phenyl]ethanone Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-10(19)12-3-4-13(14(7-12)18(20)21)17-8-11-2-5-15-16(6-11)23-9-22-15/h2-7,17H,8-9H2,1H3