1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-phenyl]ethanone Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12(21)14-3-4-15(16(11-14)20(22)23)19-7-6-13-2-5-17-18(10-13)25-9-8-24-17/h2-5,10-11,19H,6-9H2,1H3