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

Systemtic Name: 3-(2-nitro-1-thiophen-2-yl-ethyl)pentane-2,4-dione Openeye Name: 3-[2-nitro-1-(2-thienyl)ethyl]pentane-2,4-dione CAS Name: 3-(2-nitro-1-thiophen-2-ylethyl)pentane-2,4-dione IUPAC Name: 3-(2-nitro-1-thiophen-2-ylethyl)pentane-2,4-dione Traditional Name: 3-[2-nitro-1-(2-thienyl)ethyl]pentane-2,4-dione Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-7(13)11(8(2)14)9(6-12(15)16)10-4-3-5-17-10/h3-5,9,11H,6H2,1-2H3