(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H8ClNO5S MolecularWeight: 325.72432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClNO5S/c14-10-4-3-8(15(18)19)6-9(10)13(17)20-7-11(16)12-2-1-5-21-12/h1-6H,7H2