3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(E)-(5-nitro-2-furanyl)methylideneamino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C8H5N5O5 MolecularWeight: 251.1558

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C=NC2=NNC(=N2)C(=O)O

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=N/C2=NNC(=N2)C(=O)O

InChI

InChI=1S/C8H5N5O5/c14-7(15)6-10-8(12-11-6)9-3-4-1-2-5(18-4)13(16)17/h1-3H,(H,14,15)(H,10,11,12)/b9-3+