2-[(2,6-dimethyl-3-nitro-phenyl)amino]benzoic acid

Systemtic Name: 2-[(2,6-dimethyl-3-nitro-phenyl)amino]benzoic acid Openeye Name: 2-(2,6-dimethyl-3-nitro-anilino)benzoic acid CAS Name: 2-(2,6-dimethyl-3-nitroanilino)benzoic acid IUPAC Name: 2-(2,6-dimethyl-3-nitroanilino)benzoic acid Traditional Name: 2-(2,6-dimethyl-3-nitro-anilino)benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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