methyl 4-(2-nitrophenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: methyl 4-(2-nitrophenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: methyl 4-(2-nitrophenyl)-2-oxo-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(2-nitrophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-nitrophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 2-keto-4-(2-nitrophenyl)-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester Formula: C15H13N3O5S MolecularWeight: 347.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-23-15(20)17-7-10-13(14(17)24)9(6-12(19)16-10)8-4-2-3-5-11(8)18(21)22/h2-5,9H,6-7H2,1H3,(H,16,19)