1-(1-butyl-5-nitro-benzo[e][1]benzofuran-2-yl)ethanone

Systemtic Name: 1-(1-butyl-5-nitro-benzo[e][1]benzofuran-2-yl)ethanone Openeye Name: 1-(1-butyl-5-nitro-benzo[e]benzofuran-2-yl)ethanone CAS Name: 1-(1-butyl-5-nitro-2-benzo[e]benzofuranyl)ethanone IUPAC Name: 1-(1-butyl-5-nitrobenzo[e][1]benzofuran-2-yl)ethanone Traditional Name: 1-(1-butyl-5-nitro-benzo[e]benzofuran-2-yl)ethanone Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCC1=C(OC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H17NO4/c1-3-4-7-14-17-13-9-6-5-8-12(13)15(19(21)22)10-16(17)23-18(14)11(2)20/h5-6,8-10H,3-4,7H2,1-2H3