(2S,5R)-2-[(3-fluoranyl-4-nitro-phenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

Systemtic Name: (2S,5R)-2-[(3-fluoranyl-4-nitro-phenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine Openeye Name: (2S,5R)-2-[(3-fluoro-4-nitro-phenyl)methyl]-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine CAS Name: (2S,5R)-2-[(3-fluoro-4-nitrophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine IUPAC Name: (2S,5R)-2-[(3-fluoro-4-nitrophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine Traditional Name: (2S,5R)-2-(3-fluoro-4-nitro-benzyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine Formula: C16H20FN3O4 MolecularWeight: 337.346103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=NC(C(=N1)OC)CC2=CC(=C(C=C2)[N+](=O)[O-])F)OC

Isomeric SMILES

CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)CC2=CC(=C(C=C2)[N+](=O)[O-])F)OC

InChI

InChI=1S/C16H20FN3O4/c1-9(2)14-16(24-4)18-12(15(19-14)23-3)8-10-5-6-13(20(21)22)11(17)7-10/h5-7,9,12,14H,8H2,1-4H3/t12-,14+/m0/s1