4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-[(E)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazol-5-one CAS Name: 4-[(E)-(5-nitro-2-furanyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-[(E)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazol-5-one Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=O)N2/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4/c20-14-17-16-12(8-10-4-2-1-3-5-10)18(14)15-9-11-6-7-13(23-11)19(21)22/h1-7,9H,8H2,(H,17,20)/b15-9+