methyl (1R,4aS,10aR)-6-bromanyl-1,4a-dimethyl-7-nitro-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-6-bromanyl-1,4a-dimethyl-7-nitro-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-6-bromo-1,4a-dimethyl-7-nitro-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-6-bromo-1,4a-dimethyl-7-nitro-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-6-bromo-1,4a-dimethyl-7-nitro-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-6-bromo-9-keto-1,4a-dimethyl-7-nitro-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(=O)C3=CC(=C(C=C23)Br)[N+](=O)[O-])(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=CC(=C(C=C23)Br)[N+](=O)[O-])(C)C(=O)OC

InChI

InChI=1S/C18H20BrNO5/c1-17-5-4-6-18(2,16(22)25-3)15(17)9-14(21)10-7-13(20(23)24)12(19)8-11(10)17/h7-8,15H,4-6,9H2,1-3H3/t15-,17-,18-/m1/s1