2-nitro-5-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]phenolate

Systemtic Name: 2-nitro-5-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]phenolate Openeye Name: 2-nitro-5-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]carbamoyl]phenolate CAS Name: 2-nitro-5-[oxo-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenolate IUPAC Name: 2-nitro-5-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]phenolate Traditional Name: 2-nitro-5-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]carbamoyl]phenolate Formula: C14H9N6O4- MolecularWeight: 325.25906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)N3C=NC=N3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)N3C=NC=N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N6O4/c21-12-5-9(1-3-11(12)20(23)24)14(22)18-10-2-4-13(16-6-10)19-8-15-7-17-19/h1-8,21H,(H,18,22)/p-1