2-[5-[3,4-bis(oxidanyl)phenyl]-1-ethanoyl-3-oxidanylidene-2-propan-2-yl-2H-pyrazin-4-yl]ethanoic acid

Systemtic Name: 2-[5-[3,4-bis(oxidanyl)phenyl]-1-ethanoyl-3-oxidanylidene-2-propan-2-yl-2H-pyrazin-4-yl]ethanoic acid Openeye Name: 2-[1-acetyl-5-(3,4-dihydroxyphenyl)-2-isopropyl-3-oxo-2H-pyrazin-4-yl]acetic acid CAS Name: 2-[1-acetyl-5-(3,4-dihydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid IUPAC Name: 2-[1-acetyl-5-(3,4-dihydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid Traditional Name: 2-[1-acetyl-5-(3,4-dihydroxyphenyl)-2-isopropyl-3-keto-2H-pyrazin-4-yl]acetic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C)C2=CC(=C(C=C2)O)O)CC(=O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C)C2=CC(=C(C=C2)O)O)CC(=O)O

InChI

InChI=1S/C17H20N2O6/c1-9(2)16-17(25)19(8-15(23)24)12(7-18(16)10(3)20)11-4-5-13(21)14(22)6-11/h4-7,9,16,21-22H,8H2,1-3H3,(H,23,24)