ethyl (4aR,5R,8aS)-3,5-dimethyl-5-nitro-1-oxidanylidene-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylate

Systemtic Name: ethyl (4aR,5R,8aS)-3,5-dimethyl-5-nitro-1-oxidanylidene-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylate Openeye Name: ethyl (4aR,5R,8aS)-3,5-dimethyl-5-nitro-1-oxo-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylate CAS Name: (4aR,5R,8aS)-3,5-dimethyl-5-nitro-1-oxo-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,5R,8aS)-3,5-dimethyl-5-nitro-1-oxo-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylate Traditional Name: (4aR,5R,8aS)-1-keto-3,5-dimethyl-5-nitro-4a,6,7,8-tetrahydro-2H-isoquinoline-8a-carboxylic acid ethyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC(C1C=C(NC2=O)C)(C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@]12CCC[C@@]([C@@H]1C=C(NC2=O)C)(C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5/c1-4-21-12(18)14-7-5-6-13(3,16(19)20)10(14)8-9(2)15-11(14)17/h8,10H,4-7H2,1-3H3,(H,15,17)/t10-,13+,14-/m0/s1