[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H9BrI3N3O5 MolecularWeight: 771.86647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C15H9BrI3N3O5/c16-7-3-6(22(25)26)1-2-10(7)21-11(23)5-27-15(24)12-8(17)4-9(18)14(20)13(12)19/h1-4H,5,20H2,(H,21,23)