3-(2-methyl-5-nitro-phenoxy)butanoic acid

Systemtic Name: 3-(2-methyl-5-nitro-phenoxy)butanoic acid Openeye Name: 3-(2-methyl-5-nitro-phenoxy)butanoic acid CAS Name: 3-(2-methyl-5-nitrophenoxy)butanoic acid IUPAC Name: 3-(2-methyl-5-nitrophenoxy)butanoic acid Traditional Name: 3-(2-methyl-5-nitro-phenoxy)butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C)CC(=O)O

InChI

InChI=1S/C11H13NO5/c1-7-3-4-9(12(15)16)6-10(7)17-8(2)5-11(13)14/h3-4,6,8H,5H2,1-2H3,(H,13,14)