methyl (1S,2R,5R,6R)-2-methyl-6-nitro-3-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,5R,6R)-2-methyl-6-nitro-3-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,5R,6R)-2-methyl-6-nitro-3-oxo-5-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R,5R,6R)-2-methyl-6-nitro-3-oxo-5-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,5R,6R)-2-methyl-6-nitro-3-oxo-5-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R,5R,6R)-3-keto-2-methyl-6-nitro-5-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(CC1=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H](CC1=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H17NO5/c1-9-12(17)8-11(10-6-4-3-5-7-10)14(16(19)20)13(9)15(18)21-2/h3-7,9,11,13-14H,8H2,1-2H3/t9-,11+,13-,14+/m0/s1