3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Openeye Name: 3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole CAS Name: 3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Traditional Name: 3-(1,3-dioxolan-2-ylmethylsulfonyl)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Formula: C14H16N4O7S MolecularWeight: 384.36444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)CC2OCCO2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)CC2OCCO2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O7S/c1-17-12(8-25-11-4-2-10(3-5-11)18(19)20)15-16-14(17)26(21,22)9-13-23-6-7-24-13/h2-5,13H,6-9H2,1H3