2-[(3,4-dimethoxyphenyl)amino]-4-nitro-benzoate

Systemtic Name: 2-[(3,4-dimethoxyphenyl)amino]-4-nitro-benzoate Openeye Name: 2-(3,4-dimethoxyanilino)-4-nitro-benzoate CAS Name: 2-(3,4-dimethoxyanilino)-4-nitrobenzoate IUPAC Name: 2-(3,4-dimethoxyanilino)-4-nitrobenzoate Traditional Name: 2-(3,4-dimethoxyanilino)-4-nitro-benzoate Formula: C15H13N2O6- MolecularWeight: 317.27352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-])OC

InChI

InChI=1S/C15H14N2O6/c1-22-13-6-3-9(7-14(13)23-2)16-12-8-10(17(20)21)4-5-11(12)15(18)19/h3-8,16H,1-2H3,(H,18,19)/p-1