4-(3,5-dimethylphenoxy)-3-nitro-benzoate

Systemtic Name: 4-(3,5-dimethylphenoxy)-3-nitro-benzoate Openeye Name: 4-(3,5-dimethylphenoxy)-3-nitro-benzoate CAS Name: 4-(3,5-dimethylphenoxy)-3-nitrobenzoate IUPAC Name: 4-(3,5-dimethylphenoxy)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylphenoxy)-3-nitro-benzoate Formula: C15H12NO5- MolecularWeight: 286.25948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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