ethyl (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-(1-pyrrolyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N3C=CC=C3)C

InChI

InChI=1S/C20H17N3O5/c1-3-27-20(24)17-13(2)28-19(22-9-4-5-10-22)16(12-21)18(17)14-7-6-8-15(11-14)23(25)26/h4-11,18H,3H2,1-2H3/t18-/m0/s1