(4-nitrophenyl) (1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Openeye Name: (4-nitrophenyl) (1R,4aR,10aR)-7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aR,10aR)-7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (4-nitrophenyl) ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC(=C1CCC2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H33NO4/c1-17(2)18-6-12-22-19(16-18)7-13-23-25(22,3)14-5-15-26(23,4)24(28)31-21-10-8-20(9-11-21)27(29)30/h8-11,16,22-23H,5-7,12-15H2,1-4H3/t22?,23-,25-,26-/m1/s1