(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H13NO7S/c1-21-12-6-9(10(16(19)20)7-13(12)22-2)15(18)23-8-11(17)14-4-3-5-24-14/h3-7H,8H2,1-2H3