2-[(2,6-dimethylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(2,6-dimethylanilino)-5-nitro-benzoic acid CAS Name: 2-(2,6-dimethylanilino)-5-nitrobenzoic acid IUPAC Name: 2-(2,6-dimethylanilino)-5-nitrobenzoic acid Traditional Name: 2-(2,6-dimethylanilino)-5-nitro-benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N2O4/c1-9-4-3-5-10(2)14(9)16-13-7-6-11(17(20)21)8-12(13)15(18)19/h3-8,16H,1-2H3,(H,18,19)