3-[(4-tert-butyl-2-nitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(4-tert-butyl-2-nitro-phenyl)amino]benzoic acid Openeye Name: 3-(4-tert-butyl-2-nitro-anilino)benzoic acid CAS Name: 3-(4-tert-butyl-2-nitroanilino)benzoic acid IUPAC Name: 3-(4-tert-butyl-2-nitroanilino)benzoic acid Traditional Name: 3-(4-tert-butyl-2-nitro-anilino)benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-17(2,3)12-7-8-14(15(10-12)19(22)23)18-13-6-4-5-11(9-13)16(20)21/h4-10,18H,1-3H3,(H,20,21)