(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-methyl-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C14H11NO5S/c1-9-4-2-5-10(13(9)15(18)19)14(17)20-8-11(16)12-6-3-7-21-12/h2-7H,8H2,1H3