N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-3-nitro-benzamide Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S/c1-3-27-15-5-4-12(9-14(15)21(23)24)17(22)18-16-8-11(2)19-20(16)13-6-7-28(25,26)10-13/h4-5,8-9,13H,3,6-7,10H2,1-2H3,(H,18,22)