3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzoic acid Openeye Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzoic acid CAS Name: 3-nitro-4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid IUPAC Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-keto-2-pyrrolidino-ethyl)thio]-3-nitro-benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c16-12(14-5-1-2-6-14)8-21-11-4-3-9(13(17)18)7-10(11)15(19)20/h3-4,7H,1-2,5-6,8H2,(H,17,18)