2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[4-(2-furylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[4-(2-furanylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[4-(2-furfurylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C15H14N5O4+ MolecularWeight: 328.30276

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N5O4/c21-15(12-3-5-13(6-4-12)20(22)23)9-18-11-19(10-17-18)16-8-14-2-1-7-24-14/h1-7,10-11,16H,8-9H2/q+1