[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C15H13NO5S/c1-9-4-3-5-11(16(19)20)14(9)15(18)21-8-12(17)13-7-6-10(2)22-13/h3-7H,8H2,1-2H3