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

Systemtic Name: methyl (1R,4aS)-6-bromanyl-1,4a-dimethyl-7-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-6-bromo-1,4a-dimethyl-7-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS)-6-bromo-1,4a-dimethyl-7-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-6-bromo-1,4a-dimethyl-7-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS)-6-bromo-1,4a-dimethyl-7-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C18H22BrNO4 MolecularWeight: 396.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=CC(=C(C=C23)Br)[N+](=O)[O-])(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@@](C1CCC3=CC(=C(C=C23)Br)[N+](=O)[O-])(C)C(=O)OC

InChI

InChI=1S/C18H22BrNO4/c1-17-7-4-8-18(2,16(21)24-3)15(17)6-5-11-9-14(20(22)23)13(19)10-12(11)17/h9-10,15H,4-8H2,1-3H3/t15?,17-,18-/m1/s1