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

Systemtic Name: butyl 4-[[4-nitro-1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]amino]benzoate Openeye Name: butyl 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoate CAS Name: 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoate Traditional Name: 4-[(1,1-diketo-4-nitro-2,5-dihydrothiophen-3-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=C(CS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[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/h4-7,16H,2-3,8-10H2,1H3