3-(3-bromanylpropoxy)-2-(4-nitrophenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3-bromanylpropoxy)-2-(4-nitrophenyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(3-bromopropoxy)-2-(4-nitrophenyl)-3-oxo-propanoic acid CAS Name: 3-(3-bromopropoxy)-2-(4-nitrophenyl)-3-oxopropanoic acid IUPAC Name: 3-(3-bromopropoxy)-2-(4-nitrophenyl)-3-oxopropanoic acid Traditional Name: 3-(3-bromopropoxy)-3-keto-2-(4-nitrophenyl)propionic acid Formula: C12H12BrNO6 MolecularWeight: 346.13078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)C(=O)OCCCBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)O)C(=O)OCCCBr)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrNO6/c13-6-1-7-20-12(17)10(11(15)16)8-2-4-9(5-3-8)14(18)19/h2-5,10H,1,6-7H2,(H,15,16)