4-[3-[2,5-dimethoxy-3-nitro-6-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol

Systemtic Name: 4-[3-[2,5-dimethoxy-3-nitro-6-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol Openeye Name: 4-[3-[2,5-dimethoxy-3-nitro-6-[2-(1-piperidyl)ethoxy]phenyl]-3-hydroxy-propyl]phenol CAS Name: 4-[3-[2,5-dimethoxy-3-nitro-6-[2-(1-piperidinyl)ethoxy]phenyl]-3-hydroxypropyl]phenol IUPAC Name: 4-[3-[2,5-dimethoxy-3-nitro-6-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol Traditional Name: 4-[3-[2,5-dimethoxy-3-nitro-6-(2-piperidinoethoxy)phenyl]-3-hydroxy-propyl]phenol Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)[N+](=O)[O-])OC)C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3

Isomeric SMILES

COC1=C(C(=C(C(=C1)[N+](=O)[O-])OC)C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3

InChI

InChI=1S/C24H32N2O7/c1-31-21-16-19(26(29)30)23(32-2)22(20(28)11-8-17-6-9-18(27)10-7-17)24(21)33-15-14-25-12-4-3-5-13-25/h6-7,9-10,16,20,27-28H,3-5,8,11-15H2,1-2H3