5-methoxy-4-(2-methylpropoxy)-2-nitro-benzoic acid

Systemtic Name: 5-methoxy-4-(2-methylpropoxy)-2-nitro-benzoic acid Openeye Name: 4-isobutoxy-5-methoxy-2-nitro-benzoic acid CAS Name: 5-methoxy-4-(2-methylpropoxy)-2-nitrobenzoic acid IUPAC Name: 5-methoxy-4-(2-methylpropoxy)-2-nitrobenzoic acid Traditional Name: 4-isobutoxy-5-methoxy-2-nitro-benzoic acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-7(2)6-19-11-5-9(13(16)17)8(12(14)15)4-10(11)18-3/h4-5,7H,6H2,1-3H3,(H,14,15)