3-nitro-2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate

Systemtic Name: 3-nitro-2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate Openeye Name: 3-nitro-2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate CAS Name: 3-nitro-2-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]benzoate IUPAC Name: 3-nitro-2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate Traditional Name: 3-nitro-2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate Formula: C10H6N5O5- MolecularWeight: 276.18514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC=NN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC=NN2)C(=O)[O-]

InChI

InChI=1S/C10H7N5O5/c16-8(13-10-11-4-12-14-10)7-5(9(17)18)2-1-3-6(7)15(19)20/h1-4H,(H,17,18)(H2,11,12,13,14,16)/p-1