ethyl 6-azanyl-5-cyano-2-methyl-4-(5-nitrothiophen-2-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-(5-nitrothiophen-2-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-(5-nitro-2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(5-nitro-2-thiophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-(5-nitrothiophen-2-yl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-(5-nitro-2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)[N+](=O)[O-])C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)[N+](=O)[O-])C#N)N)C

InChI

InChI=1S/C14H13N3O5S/c1-3-21-14(18)11-7(2)22-13(16)8(6-15)12(11)9-4-5-10(23-9)17(19)20/h4-5,12H,3,16H2,1-2H3