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

Systemtic Name: 2-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)phenolate Openeye Name: 2-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)phenolate CAS Name: 2-nitro-5-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]phenolate IUPAC Name: 2-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)phenolate Traditional Name: 2-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)phenolate Formula: C9H6N5O4- MolecularWeight: 248.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=NC=NN2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=NC=NN2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O4/c15-7-3-5(1-2-6(7)14(17)18)8(16)12-9-10-4-11-13-9/h1-4,15H,(H2,10,11,12,13,16)/p-1