[(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl] (2R)-2-methoxy-2-phenyl-ethanoate

Systemtic Name: [(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl] (2R)-2-methoxy-2-phenyl-ethanoate Openeye Name: [(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-4-yl] (2R)-2-methoxy-2-phenyl-acetate CAS Name: (2R)-2-methoxy-2-phenylacetic acid [(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl] ester IUPAC Name: [(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl] (2R)-2-methoxy-2-phenylacetate Traditional Name: (2R)-2-methoxy-2-phenyl-acetic acid [(2S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-4-yl] ester Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC(=O)C(C3=CC=CC=C3)OC)C(OC)OC

Isomeric SMILES

C[C@]1(C[C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC(=O)[C@@H](C3=CC=CC=C3)OC)C(OC)OC

InChI

InChI=1S/C22H25NO8/c1-22(21(28-3)29-4)13-18(16-12-15(23(25)26)10-11-17(16)31-22)30-20(24)19(27-2)14-8-6-5-7-9-14/h5-12,18-19,21H,13H2,1-4H3/t18-,19+,22-/m0/s1