2-[4-(2-methyl-2-nitro-propyl)phenoxy]butanoic acid

Systemtic Name: 2-[4-(2-methyl-2-nitro-propyl)phenoxy]butanoic acid Openeye Name: 2-[4-(2-methyl-2-nitro-propyl)phenoxy]butanoic acid CAS Name: 2-[4-(2-methyl-2-nitropropyl)phenoxy]butanoic acid IUPAC Name: 2-[4-(2-methyl-2-nitropropyl)phenoxy]butanoic acid Traditional Name: 2-[4-(2-methyl-2-nitro-propyl)phenoxy]butyric acid Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)CC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)CC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO5/c1-4-12(13(16)17)20-11-7-5-10(6-8-11)9-14(2,3)15(18)19/h5-8,12H,4,9H2,1-3H3,(H,16,17)