3-(2-nitro-2-phenyl-1-thiophen-2-yl-ethyl)pentane-2,4-dione

Systemtic Name: 3-(2-nitro-2-phenyl-1-thiophen-2-yl-ethyl)pentane-2,4-dione Openeye Name: 3-[2-nitro-2-phenyl-1-(2-thienyl)ethyl]pentane-2,4-dione CAS Name: 3-(2-nitro-2-phenyl-1-thiophen-2-ylethyl)pentane-2,4-dione IUPAC Name: 3-(2-nitro-2-phenyl-1-thiophen-2-ylethyl)pentane-2,4-dione Traditional Name: 3-[2-nitro-2-phenyl-1-(2-thienyl)ethyl]pentane-2,4-dione Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CS1)C(C2=CC=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC=CS1)C(C2=CC=CC=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H17NO4S/c1-11(19)15(12(2)20)16(14-9-6-10-23-14)17(18(21)22)13-7-4-3-5-8-13/h3-10,15-17H,1-2H3