(4-iodophenyl) 2,4-dinitrobenzoate

Systemtic Name: (4-iodophenyl) 2,4-dinitrobenzoate Openeye Name: (4-iodophenyl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-iodophenyl) ester Formula: C13H7IN2O6 MolecularWeight: 414.10895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])I

InChI

InChI=1S/C13H7IN2O6/c14-8-1-4-10(5-2-8)22-13(17)11-6-3-9(15(18)19)7-12(11)16(20)21/h1-7H