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

Systemtic Name: 4-[[4-nitro-1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]amino]benzoic acid Openeye Name: 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoic acid CAS Name: 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoic acid IUPAC Name: 4-[(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)amino]benzoic acid Traditional Name: 4-[(1,1-diketo-4-nitro-2,5-dihydrothiophen-3-yl)amino]benzoic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CS1(=O)=O)[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C(=C(CS1(=O)=O)[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H10N2O6S/c14-11(15)7-1-3-8(4-2-7)12-9-5-20(18,19)6-10(9)13(16)17/h1-4,12H,5-6H2,(H,14,15)