(2E)-2-(nitromethylidene)-1-phenethyl-1,3-diazinane

Systemtic Name: (2E)-2-(nitromethylidene)-1-phenethyl-1,3-diazinane Openeye Name: (2E)-2-(nitromethylene)-1-phenethyl-hexahydropyrimidine CAS Name: (2E)-2-(nitromethylidene)-1-phenethyl-1,3-diazinane IUPAC Name: (2E)-2-(nitromethylidene)-1-phenethyl-1,3-diazinane Traditional Name: (2E)-2-(nitromethylene)-1-phenethyl-hexahydropyrimidine Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C[N+](=O)[O-])N(C1)CCC2=CC=CC=C2

Isomeric SMILES

C1CN/C(=C\[N+](=O)[O-])/N(C1)CCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2/c17-16(18)11-13-14-8-4-9-15(13)10-7-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2/b13-11+