1-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-4-nitro-butan-1-one

Systemtic Name: 1-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-4-nitro-butan-1-one Openeye Name: 1-(benzofuran-2-yl)-3-(4-chlorophenyl)-4-nitro-butan-1-one CAS Name: 1-(2-benzofuranyl)-3-(4-chlorophenyl)-4-nitro-1-butanone IUPAC Name: 1-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-4-nitrobutan-1-one Traditional Name: 1-(benzofuran-2-yl)-3-(4-chlorophenyl)-4-nitro-butan-1-one Formula: C18H14ClNO4 MolecularWeight: 343.76106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CC(C[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CC(C[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO4/c19-15-7-5-12(6-8-15)14(11-20(22)23)9-16(21)18-10-13-3-1-2-4-17(13)24-18/h1-8,10,14H,9,11H2