ethyl 3-azanyl-4-(methylamino)-5-nitro-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(methylamino)-5-nitro-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3-amino-4-(methylamino)-5-nitro-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4-(methylamino)-5-nitro-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(methylamino)-5-nitrothieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4-(methylamino)-5-nitro-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C11H13N4O4S+ MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C[NH+]=C2S1)[N+](=O)[O-])NC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C[NH+]=C2S1)[N+](=O)[O-])NC)N

InChI

InChI=1S/C11H12N4O4S/c1-3-19-11(16)9-7(12)6-8(13-2)5(15(17)18)4-14-10(6)20-9/h4H,3,12H2,1-2H3,(H,13,14)/p+1