2-[(2,5-dimethylphenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-(2,5-dimethylanilino)-3,5-dinitro-benzoic acid CAS Name: 2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid Traditional Name: 2-(2,5-dimethylanilino)-3,5-dinitro-benzoic acid Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-8-3-4-9(2)12(5-8)16-14-11(15(19)20)6-10(17(21)22)7-13(14)18(23)24/h3-7,16H,1-2H3,(H,19,20)