(4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: (4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: (4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: (4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: (4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: (4aR,10aS)-7-methoxy-1,1-dimethyl-4a-(nitromethyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CC(=O)C3=C2C=CC(=C3)OC)C[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC[C@]2([C@H]1CC(=O)C3=C2C=CC(=C3)OC)C[N+](=O)[O-])C

InChI

InChI=1S/C18H23NO4/c1-17(2)7-4-8-18(11-19(21)22)14-6-5-12(23-3)9-13(14)15(20)10-16(17)18/h5-6,9,16H,4,7-8,10-11H2,1-3H3/t16-,18-/m0/s1