dimethyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylate

Systemtic Name: dimethyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylate Openeye Name: dimethyl 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylate CAS Name: 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylate Traditional Name: 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N)C(=O)OC

InChI

InChI=1S/C16H13N3O6S/c1-24-15(20)12-11(8-4-3-5-9(6-8)19(22)23)10(7-17)14(18)26-13(12)16(21)25-2/h3-6,11H,18H2,1-2H3