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

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-nitro-benzoic acid Openeye Name: 5-[(1,1-dioxothiolan-3-yl)amino]-2-nitro-benzoic acid CAS Name: 5-[(1,1-dioxo-3-thiolanyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[(1,1-dioxothiolan-3-yl)amino]-2-nitrobenzoic acid Traditional Name: 5-[(1,1-diketothiolan-3-yl)amino]-2-nitro-benzoic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N2O6S/c14-11(15)9-5-7(1-2-10(9)13(16)17)12-8-3-4-20(18,19)6-8/h1-2,5,8,12H,3-4,6H2,(H,14,15)