N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-1,3,5-triazin-6-yl]nitramide

Systemtic Name: N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-1,3,5-triazin-6-yl]nitramide Openeye Name: N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-1,3,5-triazin-6-yl]nitramide CAS Name: N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-1,3,5-triazin-6-yl]nitramide IUPAC Name: N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-1,3,5-triazin-6-yl]nitramide Traditional Name: N-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-2,4-dihydro-s-triazin-6-yl]nitramide Formula: C12H13N7O4 MolecularWeight: 319.27612

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N(CN1C2=CC(=CC=C2)[N+](=O)[O-])CCC#N)N[N+](=O)[O-]

Isomeric SMILES

C1N=C(N(CN1C2=CC(=CC=C2)[N+](=O)[O-])CCC#N)N[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O4/c13-5-2-6-16-9-17(8-14-12(16)15-19(22)23)10-3-1-4-11(7-10)18(20)21/h1,3-4,7H,2,6,8-9H2,(H,14,15)