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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C13H11IN4O3 MolecularWeight: 398.15591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H11IN4O3/c14-8-2-1-3-9(6-8)18-10(19)7-21-13(20)11-12(15)17-5-4-16-11/h1-6H,7H2,(H2,15,17)(H,18,19)