3-[(6-chloranyl-3-oxidanylidene-4-phenethyl-pyrazin-2-yl)amino]propanoic acid

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4-phenethyl-pyrazin-2-yl)amino]propanoic acid Openeye Name: 3-[(6-chloro-3-oxo-4-phenethyl-pyrazin-2-yl)amino]propanoic acid CAS Name: 3-[(6-chloro-3-oxo-4-phenethyl-2-pyrazinyl)amino]propanoic acid IUPAC Name: 3-[(6-chloro-3-oxo-4-phenethylpyrazin-2-yl)amino]propanoic acid Traditional Name: 3-[(6-chloro-3-keto-4-phenethyl-pyrazin-2-yl)amino]propionic acid Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(N=C(C2=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(N=C(C2=O)NCCC(=O)O)Cl

InChI

InChI=1S/C15H16ClN3O3/c16-12-10-19(9-7-11-4-2-1-3-5-11)15(22)14(18-12)17-8-6-13(20)21/h1-5,10H,6-9H2,(H,17,18)(H,20,21)