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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(1,1-diketothiolan-3-yl)carbamoyl]-3-nitro-benzoic acid Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N2O7S/c15-11(13-7-4-5-22(20,21)6-7)10-8(12(16)17)2-1-3-9(10)14(18)19/h1-3,7H,4-6H2,(H,13,15)(H,16,17)