ethyl (4S)-6-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-(4-chloro-3-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(4-chloro-3-nitrophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-(4-chloro-3-nitrophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(4-chloro-3-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)N)C

InChI

InChI=1S/C16H14ClN3O5/c1-3-24-16(21)13-8(2)25-15(19)10(7-18)14(13)9-4-5-11(17)12(6-9)20(22)23/h4-6,14H,3,19H2,1-2H3/t14-/m0/s1