2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethoxy]benzoic acid

Systemtic Name: 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethoxy]benzoic acid Openeye Name: 2-[2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethoxy]benzoic acid CAS Name: 2-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethoxy]benzoic acid IUPAC Name: 2-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethoxy]benzoic acid Traditional Name: 2-[2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethoxy]benzoic acid Formula: C21H15BrN2O6 MolecularWeight: 471.2576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H15BrN2O6/c22-16-12-14(24(28)29)10-11-17(16)23-20(25)19(13-6-2-1-3-7-13)30-18-9-5-4-8-15(18)21(26)27/h1-12,19H,(H,23,25)(H,26,27)