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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H10BrNO6S MolecularWeight: 400.2013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO6S/c15-13-6-5-12(23-13)11(17)7-22-14(18)8-21-10-3-1-9(2-4-10)16(19)20/h1-6H,7-8H2