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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C15H15ClN4O5S MolecularWeight: 398.8214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O5S/c1-9-6-14(19(18-9)11-4-5-26(24,25)8-11)17-15(21)12-3-2-10(20(22)23)7-13(12)16/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)