4-(4-methylpentan-2-yloxy)-3-nitro-benzoic acid

Systemtic Name: 4-(4-methylpentan-2-yloxy)-3-nitro-benzoic acid Openeye Name: 4-(1,3-dimethylbutoxy)-3-nitro-benzoic acid CAS Name: 4-(4-methylpentan-2-yloxy)-3-nitrobenzoic acid IUPAC Name: 4-(4-methylpentan-2-yloxy)-3-nitrobenzoic acid Traditional Name: 4-(1,3-dimethylbutoxy)-3-nitro-benzoic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-8(2)6-9(3)19-12-5-4-10(13(15)16)7-11(12)14(17)18/h4-5,7-9H,6H2,1-3H3,(H,15,16)