2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C1=CC(=CN1)[N+](=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC(=O)C1=CC(=CN1)[N+](=O)[O-])C2CCS(=O)(=O)C2

InChI

InChI=1S/C11H15N3O5S/c1-13(8-2-3-20(18,19)7-8)6-11(15)10-4-9(5-12-10)14(16)17/h4-5,8,12H,2-3,6-7H2,1H3