2-[4-(3-bromanylpropoxy)-3-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanylpropoxy)-3-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-(3-bromopropoxy)-3-nitro-phenyl]acetic acid CAS Name: 2-[4-(3-bromopropoxy)-3-nitrophenyl]acetic acid IUPAC Name: 2-[4-(3-bromopropoxy)-3-nitrophenyl]acetic acid Traditional Name: 2-[4-(3-bromopropoxy)-3-nitro-phenyl]acetic acid Formula: C11H12BrNO5 MolecularWeight: 318.12068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])OCCCBr

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])OCCCBr

InChI

InChI=1S/C11H12BrNO5/c12-4-1-5-18-10-3-2-8(7-11(14)15)6-9(10)13(16)17/h2-3,6H,1,4-5,7H2,(H,14,15)