[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H7BrClNO5S MolecularWeight: 404.62038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrClNO5S/c14-12-4-3-11(22-12)10(17)6-21-13(18)8-2-1-7(16(19)20)5-9(8)15/h1-5H,6H2