5-phenyl-1-(phenylmethyl)-4-(trinitromethyl)-1,2,3-triazole

Systemtic Name: 5-phenyl-1-(phenylmethyl)-4-(trinitromethyl)-1,2,3-triazole Openeye Name: 1-benzyl-5-phenyl-4-(trinitromethyl)triazole CAS Name: 5-phenyl-1-(phenylmethyl)-4-(trinitromethyl)triazole IUPAC Name: 1-benzyl-5-phenyl-4-(trinitromethyl)triazole Traditional Name: 1-benzyl-5-phenyl-4-(trinitromethyl)triazole Formula: C16H12N6O6 MolecularWeight: 384.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H12N6O6/c23-20(24)16(21(25)26,22(27)28)15-14(13-9-5-2-6-10-13)19(18-17-15)11-12-7-3-1-4-8-12/h1-10H,11H2