1-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(1,1-dioxothiolan-3-yl)-methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1,1-diketothiolan-3-yl)-methyl-amino]-3-nitro-phenyl]ethanone Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-9(16)10-3-4-12(13(7-10)15(17)18)14(2)11-5-6-21(19,20)8-11/h3-4,7,11H,5-6,8H2,1-2H3