methyl (1R,4aS,10aR)-1,4a-dimethyl-6,8-dinitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-6,8-dinitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-6,8-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-1,4a-dimethyl-6,8-dinitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-6,8-dinitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-6,8-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1[N+](=O)[O-])CCC3C2(CCCC3(C)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1[N+](=O)[O-])CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O6/c1-12(2)17-15(22(25)26)11-14-13(18(17)23(27)28)7-8-16-20(14,3)9-6-10-21(16,4)19(24)29-5/h11-12,16H,6-10H2,1-5H3/t16-,20-,21-/m1/s1