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

Systemtic Name: 4-[(4-bromanyl-2-nitro-phenyl)amino]benzoic acid Openeye Name: 4-(4-bromo-2-nitro-anilino)benzoic acid CAS Name: 4-(4-bromo-2-nitroanilino)benzoic acid IUPAC Name: 4-(4-bromo-2-nitroanilino)benzoic acid Traditional Name: 4-(4-bromo-2-nitro-anilino)benzoic acid Formula: C13H9BrN2O4 MolecularWeight: 337.12556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O4/c14-9-3-6-11(12(7-9)16(19)20)15-10-4-1-8(2-5-10)13(17)18/h1-7,15H,(H,17,18)