N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)amino]-N-methyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)amino]-N-methyl-ethanamide Openeye Name: 2-(4-chloro-3-nitro-anilino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-acetamide CAS Name: 2-(4-chloro-3-nitroanilino)-N-(1,1-dioxo-3-thiolanyl)-N-methylacetamide IUPAC Name: 2-(4-chloro-3-nitroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide Traditional Name: 2-(4-chloro-3-nitro-anilino)-N-(1,1-diketothiolan-3-yl)-N-methyl-acetamide Formula: C13H16ClN3O5S MolecularWeight: 361.80124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CNC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)CNC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O5S/c1-16(10-4-5-23(21,22)8-10)13(18)7-15-9-2-3-11(14)12(6-9)17(19)20/h2-3,6,10,15H,4-5,7-8H2,1H3