2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-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 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C16H11ClN2O7S MolecularWeight: 410.78574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O7S/c17-10-5-6-11(13(9-10)19(22)23)16(21)26-8-7-18-15(20)12-3-1-2-4-14(12)27(18,24)25/h1-6,9H,7-8H2