5-bromanyl-7-nitro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-7-nitro-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-7-nitro-benzofuran-2-carboxylic acid CAS Name: 5-bromo-7-nitro-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-7-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-7-nitro-coumarilic acid Formula: C9H4BrNO5 MolecularWeight: 286.03576

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(OC2=C(C=C1Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C2C=C(OC2=C(C=C1Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H4BrNO5/c10-5-1-4-2-7(9(12)13)16-8(4)6(3-5)11(14)15/h1-3H,(H,12,13)