1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8-14-13(17(19)20)15-16(8)7-10(18)9-2-3-11-12(6-9)22-5-4-21-11/h2-3,6H,4-5,7H2,1H3