2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitro-phenol

Systemtic Name: 2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitro-phenol Openeye Name: 2-[1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4-nitro-phenol CAS Name: 2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitrophenol IUPAC Name: 2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitrophenol Traditional Name: 2-[1,3-bis(p-anisyl)hexahydropyrimidin-2-yl]-4-nitro-phenol Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29N3O5/c1-33-22-9-4-19(5-10-22)17-27-14-3-15-28(18-20-6-11-23(34-2)12-7-20)26(27)24-16-21(29(31)32)8-13-25(24)30/h4-13,16,26,30H,3,14-15,17-18H2,1-2H3