3-[tert-butyl-(2-nitrophenyl)amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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