1-(3-azanyl-4,6-dinitro-1-benzothiophen-2-yl)propan-1-one

Systemtic Name: 1-(3-azanyl-4,6-dinitro-1-benzothiophen-2-yl)propan-1-one Openeye Name: 1-(3-amino-4,6-dinitro-benzothiophen-2-yl)propan-1-one CAS Name: 1-(3-amino-4,6-dinitro-1-benzothiophen-2-yl)-1-propanone IUPAC Name: 1-(3-amino-4,6-dinitro-1-benzothiophen-2-yl)propan-1-one Traditional Name: 1-(3-amino-4,6-dinitro-benzothiophen-2-yl)propan-1-one Formula: C11H9N3O5S MolecularWeight: 295.27126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C11H9N3O5S/c1-2-7(15)11-10(12)9-6(14(18)19)3-5(13(16)17)4-8(9)20-11/h3-4H,2,12H2,1H3