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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic 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:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H10BrNO6S/c1-21-11-3-2-8(16(19)20)6-9(11)14(18)22-7-10(17)12-4-5-13(15)23-12/h2-6H,7H2,1H3