[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C14H12IN3O3 MolecularWeight: 397.16785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C14H12IN3O3/c1-9-6-17-12(7-16-9)14(20)21-8-13(19)18-11-4-2-3-10(15)5-11/h2-7H,8H2,1H3,(H,18,19)