2-[(2-bromanyl-4-iodanyl-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2-bromanyl-4-iodanyl-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(2-bromo-4-iodo-anilino)-5-nitro-benzoic acid CAS Name: 2-(2-bromo-4-iodoanilino)-5-nitrobenzoic acid IUPAC Name: 2-(2-bromo-4-iodoanilino)-5-nitrobenzoic acid Traditional Name: 2-(2-bromo-4-iodo-anilino)-5-nitro-benzoic acid Formula: C13H8BrIN2O4 MolecularWeight: 463.02209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrIN2O4/c14-10-5-7(15)1-3-12(10)16-11-4-2-8(17(20)21)6-9(11)13(18)19/h1-6,16H,(H,18,19)