2-(1,3-dimethyl-1,3-diazinan-2-yl)-4-nitro-phenol

Systemtic Name: 2-(1,3-dimethyl-1,3-diazinan-2-yl)-4-nitro-phenol Openeye Name: 2-(1,3-dimethylhexahydropyrimidin-2-yl)-4-nitro-phenol CAS Name: 2-(1,3-dimethyl-1,3-diazinan-2-yl)-4-nitrophenol IUPAC Name: 2-(1,3-dimethyl-1,3-diazinan-2-yl)-4-nitrophenol Traditional Name: 2-(1,3-dimethylhexahydropyrimidin-2-yl)-4-nitro-phenol Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H17N3O3/c1-13-6-3-7-14(2)12(13)10-8-9(15(17)18)4-5-11(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3