6-butoxy-2-methyl-3-nitro-benzoic acid

Systemtic Name: 6-butoxy-2-methyl-3-nitro-benzoic acid Openeye Name: 6-butoxy-2-methyl-3-nitro-benzoic acid CAS Name: 6-butoxy-2-methyl-3-nitrobenzoic acid IUPAC Name: 6-butoxy-2-methyl-3-nitrobenzoic acid Traditional Name: 6-butoxy-2-methyl-3-nitro-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C12H15NO5/c1-3-4-7-18-10-6-5-9(13(16)17)8(2)11(10)12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)