(phenylmethyl) 2-[2-(3-acetamidophenyl)-3,5-bis(chloranyl)-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(3-acetamidophenyl)-3,5-bis(chloranyl)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-acetamidophenyl)-3,5-dichloro-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-acetamidophenyl)-3,5-dichloro-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-acetamidophenyl)-3,5-dichloro-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-acetamidophenyl)-3,5-dichloro-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C21H17Cl2N3O4 MolecularWeight: 446.28338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O4/c1-13(27)24-16-9-5-8-15(10-16)18-19(22)25-20(23)21(29)26(18)11-17(28)30-12-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,24,27)