methyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3-nitrophenyl)-4H-thiopyran-3-carboxylic acid methyl ester Formula: C14H11N3O4S MolecularWeight: 317.31984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S/c1-21-14(18)11-7-22-13(16)10(6-15)12(11)8-3-2-4-9(5-8)17(19)20/h2-5,7,12H,16H2,1H3