4-(2,6-dimethylphenoxy)-3-nitro-benzoic acid

Systemtic Name: 4-(2,6-dimethylphenoxy)-3-nitro-benzoic acid Openeye Name: 4-(2,6-dimethylphenoxy)-3-nitro-benzoic acid CAS Name: 4-(2,6-dimethylphenoxy)-3-nitrobenzoic acid IUPAC Name: 4-(2,6-dimethylphenoxy)-3-nitrobenzoic acid Traditional Name: 4-(2,6-dimethylphenoxy)-3-nitro-benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5/c1-9-4-3-5-10(2)14(9)21-13-7-6-11(15(17)18)8-12(13)16(19)20/h3-8H,1-2H3,(H,17,18)