4-[(5-bromanylthiophen-2-yl)methoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methoxy]-3-nitro-benzoic acid Openeye Name: 4-[(5-bromo-2-thienyl)methoxy]-3-nitro-benzoic acid CAS Name: 4-[(5-bromo-2-thiophenyl)methoxy]-3-nitrobenzoic acid IUPAC Name: 4-[(5-bromothiophen-2-yl)methoxy]-3-nitrobenzoic acid Traditional Name: 4-[(5-bromo-2-thienyl)methoxy]-3-nitro-benzoic acid Formula: C12H8BrNO5S MolecularWeight: 358.16462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=C(S2)Br

InChI

InChI=1S/C12H8BrNO5S/c13-11-4-2-8(20-11)6-19-10-3-1-7(12(15)16)5-9(10)14(17)18/h1-5H,6H2,(H,15,16)