(4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: (4-nitrophenyl) (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (4-nitrophenyl) ester Formula: C26H29NO5 MolecularWeight: 435.51216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H29NO5/c1-16(2)17-6-11-21-20(14-17)22(28)15-23-25(21,3)12-5-13-26(23,4)24(29)32-19-9-7-18(8-10-19)27(30)31/h6-11,14,16,23H,5,12-13,15H2,1-4H3/t23-,25-,26-/m1/s1