2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-nitrobenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-nitrobenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c19-15-13-6-1-2-7-14(13)26(23,24)17(15)8-9-25-16(20)11-4-3-5-12(10-11)18(21)22/h1-7,10H,8-9H2