1-[4-[[4-nitro-1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[4-nitro-1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]phenyl]ethanone IUPAC Name: 1-[4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[(1,1-diketo-4-nitro-2,5-dihydrothiophen-3-yl)amino]phenyl]ethanone Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5S/c1-8(15)9-2-4-10(5-3-9)13-11-6-20(18,19)7-12(11)14(16)17/h2-5,13H,6-7H2,1H3