5-nitro-3-(phenylmethyl)-2H-1,2,3-triazol-4-one

Systemtic Name: 5-nitro-3-(phenylmethyl)-2H-1,2,3-triazol-4-one Openeye Name: 3-benzyl-5-nitro-2H-triazol-4-one CAS Name: 5-nitro-3-(phenylmethyl)-2H-triazol-4-one IUPAC Name: 3-benzyl-5-nitro-2H-triazol-4-one Traditional Name: 3-benzyl-5-nitro-2H-triazol-4-one Formula: C9H8N4O3 MolecularWeight: 220.18482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3/c14-9-8(13(15)16)10-11-12(9)6-7-4-2-1-3-5-7/h1-5,11H,6H2