N-(furan-2-ylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C12H11N7O4 MolecularWeight: 317.26024

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O4/c20-11(13-6-9-2-1-5-23-9)10-3-4-17(15-10)8-18-7-14-12(16-18)19(21)22/h1-5,7H,6,8H2,(H,13,20)