2-[(3,5-dinitrophenyl)carbonyl-(2-iodanylphenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonyl-(2-iodanylphenyl)carbamoyl]benzoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)-(2-iodophenyl)carbamoyl]benzoic acid CAS Name: 2-[(N-[(3,5-dinitrophenyl)-oxomethyl]-2-iodoanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)-(2-iodophenyl)carbamoyl]benzoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)-(2-iodophenyl)carbamoyl]benzoic acid Formula: C21H12IN3O8 MolecularWeight: 561.23975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=CC=CC=C2I)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=CC=CC=C2I)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H12IN3O8/c22-17-7-3-4-8-18(17)23(20(27)15-5-1-2-6-16(15)21(28)29)19(26)12-9-13(24(30)31)11-14(10-12)25(32)33/h1-11H,(H,28,29)