[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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