methyl 3-nitro-4-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)benzoate

Systemtic Name: methyl 3-nitro-4-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(2-thienyl)ethoxy]benzoate CAS Name: 3-nitro-4-(2-oxo-2-thiophen-2-ylethoxy)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-oxo-2-thiophen-2-ylethoxy)benzoate Traditional Name: 4-[2-keto-2-(2-thienyl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6S/c1-20-14(17)9-4-5-12(10(7-9)15(18)19)21-8-11(16)13-3-2-6-22-13/h2-7H,8H2,1H3