4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate

Systemtic Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate Openeye Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate CAS Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate IUPAC Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate Traditional Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate Formula: C10H7N4O4- MolecularWeight: 247.18698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H8N4O4/c15-9(16)8-3-1-7(2-4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)/p-1