butyl 4-[[(3R)-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]amino]benzoate

Systemtic Name: butyl 4-[[(3R)-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]amino]benzoate Openeye Name: butyl 4-[[(3R)-3-nitro-1,1-dioxo-2,3-dihydrothiophen-4-yl]amino]benzoate CAS Name: 4-[[(3R)-3-nitro-1,1-dioxo-2,3-dihydrothiophen-4-yl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(3R)-3-nitro-1,1-dioxo-2,3-dihydrothiophen-4-yl]amino]benzoate Traditional Name: 4-[[(3R)-1,1-diketo-3-nitro-2,3-dihydrothiophen-4-yl]amino]benzoic acid butyl ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=CS(=O)(=O)CC2[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=CS(=O)(=O)C[C@@H]2[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c1-2-3-8-23-15(18)11-4-6-12(7-5-11)16-13-9-24(21,22)10-14(13)17(19)20/h4-7,9,14,16H,2-3,8,10H2,1H3/t14-/m0/s1