4-[(3,5-dimethylphenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(3,5-dimethylanilino)-3-nitro-benzoic acid CAS Name: 4-(3,5-dimethylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3,5-dimethylanilino)-3-nitrobenzoic acid Traditional Name: 4-(3,5-dimethylanilino)-3-nitro-benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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