2-[6-chloranyl-2-oxidanylidene-3-(phenethylamino)pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-oxidanylidene-3-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-2-oxo-3-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[6-chloro-2-oxo-3-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-chloro-2-oxo-3-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[6-chloro-2-keto-3-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=C(N(C2=O)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=C(N(C2=O)CC(=O)O)Cl

InChI

InChI=1S/C14H14ClN3O3/c15-11-8-17-13(14(21)18(11)9-12(19)20)16-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17)(H,19,20)