[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H13IN2O6 MolecularWeight: 456.18869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C16H13IN2O6/c1-24-14-6-5-10(7-13(14)19(22)23)16(21)25-9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)