2-(2,3-dinitrophenyl)-4-(3-iodanylphenyl)-5-(methylamino)thiophen-3-one

Systemtic Name: 2-(2,3-dinitrophenyl)-4-(3-iodanylphenyl)-5-(methylamino)thiophen-3-one Openeye Name: 2-(2,3-dinitrophenyl)-4-(3-iodophenyl)-5-(methylamino)thiophen-3-one CAS Name: 2-(2,3-dinitrophenyl)-4-(3-iodophenyl)-5-(methylamino)-3-thiophenone IUPAC Name: 2-(2,3-dinitrophenyl)-4-(3-iodophenyl)-5-(methylamino)thiophen-3-one Traditional Name: 2-(2,3-dinitrophenyl)-4-(3-iodophenyl)-5-(methylamino)thiophen-3-one Formula: C17H12IN3O5S MolecularWeight: 497.26375

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C(S1)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)I

Isomeric SMILES

CNC1=C(C(=O)C(S1)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)I

InChI

InChI=1S/C17H12IN3O5S/c1-19-17-13(9-4-2-5-10(18)8-9)15(22)16(27-17)11-6-3-7-12(20(23)24)14(11)21(25)26/h2-8,16,19H,1H3