3-methoxy-4-[6-(2-methoxy-4-oxidanyl-phenyl)-4,4-dimethyl-3,5-dinitro-piperidin-2-yl]phenol

Systemtic Name: 3-methoxy-4-[6-(2-methoxy-4-oxidanyl-phenyl)-4,4-dimethyl-3,5-dinitro-piperidin-2-yl]phenol Openeye Name: 4-[6-(4-hydroxy-2-methoxy-phenyl)-4,4-dimethyl-3,5-dinitro-2-piperidyl]-3-methoxy-phenol CAS Name: 4-[6-(4-hydroxy-2-methoxyphenyl)-4,4-dimethyl-3,5-dinitro-2-piperidinyl]-3-methoxyphenol IUPAC Name: 4-[6-(4-hydroxy-2-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidin-2-yl]-3-methoxyphenol Traditional Name: 4-[6-(4-hydroxy-2-methoxy-phenyl)-4,4-dimethyl-3,5-dinitro-2-piperidyl]-3-methoxy-phenol Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(NC(C1[N+](=O)[O-])C2=C(C=C(C=C2)O)OC)C3=C(C=C(C=C3)O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(C(NC(C1[N+](=O)[O-])C2=C(C=C(C=C2)O)OC)C3=C(C=C(C=C3)O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O8/c1-21(2)19(23(27)28)17(13-7-5-11(25)9-15(13)31-3)22-18(20(21)24(29)30)14-8-6-12(26)10-16(14)32-4/h5-10,17-20,22,25-26H,1-4H3