4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-benzoic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-3-nitro-benzoic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-nitrobenzoic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylamino]-3-nitrobenzoic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-amino]-3-nitro-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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