methyl 2-[(1R,2S,3S)-2-nitro-3-phenyl-cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1R,2S,3S)-2-nitro-3-phenyl-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,2S,3S)-2-nitro-3-phenyl-cyclohexyl]acetate CAS Name: 2-[(1R,2S,3S)-2-nitro-3-phenylcyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,2S,3S)-2-nitro-3-phenylcyclohexyl]acetate Traditional Name: 2-[(1R,2S,3S)-2-nitro-3-phenyl-cyclohexyl]acetic acid methyl ester Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCC(C1[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]1CCC[C@H]([C@H]1[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19NO4/c1-20-14(17)10-12-8-5-9-13(15(12)16(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3/t12-,13+,15+/m1/s1