3-azanyl-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-azanyl-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylate IUPAC Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Formula: C15H7F3N3O4S- MolecularWeight: 382.29399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C15H8F3N3O4S/c16-15(17,18)8-5-9(6-1-3-7(4-2-6)21(24)25)20-13-10(8)11(19)12(26-13)14(22)23/h1-5H,19H2,(H,22,23)/p-1