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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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