methyl 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(5-bromo-2-thienyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(5-bromo-2-thiophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(5-bromo-2-thienyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C14H10BrNO6S MolecularWeight: 400.2013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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