methyl 4-nitro-1-[2,3,3-tris(iodanyl)prop-2-enyl]pyrrole-2-carboxylate

Systemtic Name: methyl 4-nitro-1-[2,3,3-tris(iodanyl)prop-2-enyl]pyrrole-2-carboxylate Openeye Name: methyl 4-nitro-1-(2,3,3-triiodoallyl)pyrrole-2-carboxylate CAS Name: 4-nitro-1-(2,3,3-triiodoprop-2-enyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-nitro-1-(2,3,3-triiodoprop-2-enyl)pyrrole-2-carboxylate Traditional Name: 4-nitro-1-(2,3,3-triiodoallyl)pyrrole-2-carboxylic acid methyl ester Formula: C9H7I3N2O4 MolecularWeight: 587.87629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1CC(=C(I)I)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CN1CC(=C(I)I)I)[N+](=O)[O-]

InChI

InChI=1S/C9H7I3N2O4/c1-18-9(15)7-2-5(14(16)17)3-13(7)4-6(10)8(11)12/h2-3H,4H2,1H3