2-nitro-5-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzoate Openeye Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzoate CAS Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzoate IUPAC Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzoate Traditional Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzoate Formula: C9H5N4O4- MolecularWeight: 233.1604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NC=N2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=NC=N2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6N4O4/c14-9(15)7-3-6(12-5-10-4-11-12)1-2-8(7)13(16)17/h1-5H,(H,14,15)/p-1