dimethyl 2-[(1S)-1-(4-methoxy-3-phenylmethoxy-phenyl)-2-nitro-ethyl]-2-methyl-propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(4-methoxy-3-phenylmethoxy-phenyl)-2-nitro-ethyl]-2-methyl-propanedioate Openeye Name: dimethyl 2-[(1S)-1-(3-benzyloxy-4-methoxy-phenyl)-2-nitro-ethyl]-2-methyl-propanedioate CAS Name: 2-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-nitroethyl]-2-methylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-nitroethyl]-2-methylpropanedioate Traditional Name: 2-[(1S)-1-(3-benzoxy-4-methoxy-phenyl)-2-nitro-ethyl]-2-methyl-malonic acid dimethyl ester Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC([C@@H](C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25NO8/c1-22(20(24)29-3,21(25)30-4)17(13-23(26)27)16-10-11-18(28-2)19(12-16)31-14-15-8-6-5-7-9-15/h5-12,17H,13-14H2,1-4H3/t17-/m0/s1