[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-iodanyl-4-methoxy-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-iodanyl-4-methoxy-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-iodo-4-methoxy-benzoate CAS Name: 3-iodo-4-methoxybenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-iodo-4-methoxybenzoate Traditional Name: 3-iodo-4-methoxy-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H12INO6 MolecularWeight: 441.17405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])I

InChI

InChI=1S/C16H12INO6/c1-23-15-6-5-11(8-13(15)17)16(20)24-9-14(19)10-3-2-4-12(7-10)18(21)22/h2-8H,9H2,1H3