[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C14H11IN2O3 MolecularWeight: 382.15321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H11IN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3