N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-nitrophenoxy)acetamide Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18N4O6S/c1-11-8-15(19(18-11)13-6-7-27(24,25)10-13)17-16(21)9-26-14-4-2-12(3-5-14)20(22)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,17,21)