(E)-3-nitro-4-thiophen-2-yl-but-3-en-2-one

Systemtic Name: (E)-3-nitro-4-thiophen-2-yl-but-3-en-2-one Openeye Name: (E)-3-nitro-4-(2-thienyl)but-3-en-2-one CAS Name: (E)-3-nitro-4-thiophen-2-yl-3-buten-2-one IUPAC Name: (E)-3-nitro-4-thiophen-2-ylbut-3-en-2-one Traditional Name: (E)-3-nitro-4-(2-thienyl)but-3-en-2-one Formula: C8H7NO3S MolecularWeight: 197.21108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CS1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO3S/c1-6(10)8(9(11)12)5-7-3-2-4-13-7/h2-5H,1H3/b8-5+