(4-nitrophenyl) 3-iodanyl-4-methyl-benzoate

Systemtic Name: (4-nitrophenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (4-nitrophenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid (4-nitrophenyl) ester Formula: C14H10INO4 MolecularWeight: 383.13797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])I

InChI

InChI=1S/C14H10INO4/c1-9-2-3-10(8-13(9)15)14(17)20-12-6-4-11(5-7-12)16(18)19/h2-8H,1H3