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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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