2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H19N3O7S/c24-19-15-5-1-2-6-18(15)31(28,29)22(19)11-12-30-20(25)16-13-14(23(26)27)7-8-17(16)21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2