[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(5-chloro-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=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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