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4-(2-methylpropoxy)-3-nitro-benzoic acid

4-(2-methylpropoxy)-3-nitro-benzoic acid

Systemtic Name:4-(2-methylpropoxy)-3-nitro-benzoic acid
Openeye Name:4-isobutoxy-3-nitro-benzoic acid
CAS Name:4-(2-methylpropoxy)-3-nitrobenzoic acid
IUPAC Name:4-(2-methylpropoxy)-3-nitrobenzoic acid
Traditional Name:4-isobutoxy-3-nitro-benzoic acid
Formula: C11H13NO5
MolecularWeight: 239.22462
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]


InChI

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


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