ethyl (1S,2R,3R,8aS)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate

Systemtic Name: ethyl (1S,2R,3R,8aS)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Openeye Name: ethyl (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate CAS Name: (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Traditional Name: (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C(=O)C)C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]2C=CC(=CN2[C@H]([C@@H]1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C(=O)C)C#N

InChI

InChI=1S/C21H20N4O6/c1-3-31-20(28)21(11-22)16-9-6-14(12(2)26)10-24(16)18(19(23)27)17(21)13-4-7-15(8-5-13)25(29)30/h4-10,16-18H,3H2,1-2H3,(H2,23,27)/t16-,17-,18+,21+/m0/s1