2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-6-nitro-phenol

Systemtic Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-6-nitro-phenol Openeye Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-6-nitro-phenol CAS Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-6-nitrophenol IUPAC Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-6-nitrophenol Traditional Name: 2-[1,3-bis(2,4-dimethoxybenzyl)hexahydropyrimidin-2-yl]-6-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/c1-35-21-11-9-19(25(15-21)37-3)17-29-13-6-14-30(18-20-10-12-22(36-2)16-26(20)38-4)28(29)23-7-5-8-24(27(23)32)31(33)34/h5,7-12,15-16,28,32H,6,13-14,17-18H2,1-4H3