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

Systemtic Name: 5-nitro-2-(1,2,4-triazol-1-yl)benzoate Openeye Name: 5-nitro-2-(1,2,4-triazol-1-yl)benzoate CAS Name: 5-nitro-2-(1,2,4-triazol-1-yl)benzoate IUPAC Name: 5-nitro-2-(1,2,4-triazol-1-yl)benzoate Traditional Name: 5-nitro-2-(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=C1[N+](=O)[O-])C(=O)[O-])N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])N2C=NC=N2

InChI

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