[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H8BrNO5S MolecularWeight: 370.17532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H8BrNO5S/c14-12-6-5-11(21-12)10(16)7-20-13(17)8-1-3-9(4-2-8)15(18)19/h1-6H,7H2