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

Systemtic Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitro-phenol Openeye Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4-nitro-phenol CAS Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitrophenol IUPAC Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-nitrophenol Traditional Name: 2-[1,3-bis(2,4-dimethoxybenzyl)hexahydropyrimidin-2-yl]-4-nitro-phenol Formula: C28H33N3O7 MolecularWeight: 523.57752

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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=C(C=C(C=C4)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O7/c1-35-22-9-6-19(26(15-22)37-3)17-29-12-5-13-30(18-20-7-10-23(36-2)16-27(20)38-4)28(29)24-14-21(31(33)34)8-11-25(24)32/h6-11,14-16,28,32H,5,12-13,17-18H2,1-4H3