(1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol

Systemtic Name: (1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol Openeye Name: (1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol CAS Name: (1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol IUPAC Name: (1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol Traditional Name: (1R,2R,4R,5S)-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexane-1,2-diol Formula: C15H21NO7 MolecularWeight: 327.32974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(C(CC2[N+](=O)[O-])O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H]2C[C@H]([C@@H](C[C@H]2[N+](=O)[O-])O)O)OC)OC

InChI

InChI=1S/C15H21NO7/c1-21-13-5-4-8(14(22-2)15(13)23-3)9-6-11(17)12(18)7-10(9)16(19)20/h4-5,9-12,17-18H,6-7H2,1-3H3/t9-,10+,11+,12+/m0/s1