[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C14H12IN3O3 MolecularWeight: 397.16785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=NC=CN=C2

InChI

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