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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-methylamino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-carbamoyl]-3-nitro-benzoic acid Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7S/c1-14(8-5-6-23(21,22)7-8)12(16)11-9(13(17)18)3-2-4-10(11)15(19)20/h2-4,8H,5-7H2,1H3,(H,17,18)