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

Systemtic Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-6-nitro-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-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-1,4a-dimethyl-6-nitro-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-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-6-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22(24)25)9-6-10-21(18,4)19(23)26-5/h11-13,18H,6-10H2,1-5H3/t18-,20-,21-/m1/s1