2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-(3-nitrophenyl)ethanone CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]-1-(3-nitrophenyl)ethanone Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H16N2O5S/c1-14(12-5-6-21(19,20)9-12)8-13(16)10-3-2-4-11(7-10)15(17)18/h2-4,7,12H,5-6,8-9H2,1H3