5-(2,3-dimethylphenoxy)-2-nitro-benzoic acid

Systemtic Name: 5-(2,3-dimethylphenoxy)-2-nitro-benzoic acid Openeye Name: 5-(2,3-dimethylphenoxy)-2-nitro-benzoic acid CAS Name: 5-(2,3-dimethylphenoxy)-2-nitrobenzoic acid IUPAC Name: 5-(2,3-dimethylphenoxy)-2-nitrobenzoic acid Traditional Name: 5-(2,3-dimethylphenoxy)-2-nitro-benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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