2-[6-nitro-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[6-nitro-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzenecarbonitrile Openeye Name: 2-(4-benzyl-6-nitro-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile CAS Name: 2-[6-nitro-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile IUPAC Name: 2-(4-benzyl-6-nitro-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile Traditional Name: 2-(4-benzyl-6-nitro-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CC2=CC=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CC2=CC=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O2/c18-10-15-8-4-5-9-16(15)21-13-20(12-17(19-21)22(23)24)11-14-6-2-1-3-7-14/h1-9H,11-13H2