1-[4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-(homopiperonylamino)-3-nitro-phenyl]ethanone Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11(20)13-3-4-14(15(9-13)19(21)22)18-7-6-12-2-5-16-17(8-12)24-10-23-16/h2-5,8-9,18H,6-7,10H2,1H3