N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-methoxy-3-nitro-benzamide Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-20-11-3-2-8(6-10(11)14(16)17)12(15)13-9-4-5-21(18,19)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,15)/t9-/m0/s1