3-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(4-bromo-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(4-bromo-2-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(4-bromo-2-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(4-bromo-2-nitro-phenyl)-2-keto-propionic acid Formula: C9H6BrNO5 MolecularWeight: 288.05164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6BrNO5/c10-6-2-1-5(3-8(12)9(13)14)7(4-6)11(15)16/h1-2,4H,3H2,(H,13,14)