Chem
J-GLOBAL ID：200907094899023832   Nikkaji number：J2.179.595J

2-[4-[Methyl(carboxymethyl)amino]phenyl]-4-[4-[methyl(carboxymethyl)iminio]-2,5-cyclohexadienylidene]-3-oxo-1-cyclobutene-1-olanion

2-[4-[メチル(カルボキシメチル)アミノ]フェニル]-4-[4-[メチル(カルボキシメチル)イミニオ]-2,5-シクロヘキサジエニリデン]-3-オキソ-1-シクロブテン-1-オールアニオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H20N[N+]O5[O-]
Molecular formula furigana： C22-H20-N2-O6
Molecular weight： 408.410
InChI： InChI=1S/C22H20N2O6/c1-23(11-17(25)26)15-7-3-13(4-8-15)19-21(29)20(22(19)30)14-5-9-16(10-6-14)24(2)12-18(27)28/h3-10H,11-12H2,1-2H3,(H2-,25,26,27,28,29,30)
InChI key： NRJDZRUUSWVOQF-UHFFFAOYSA-N
SMILES： CN(CC(=O)O)c1ccc(cc1)C1=C([O-])/C(=C/2\C=C/C(=[N+](\C)/CC(=O)O)/C=C2)/C1=O
Systematic name  (3)：
  • 2-[4-[メチル(カルボキシメチル)アミノ]フェニル]-4-[4-[メチル(カルボキシメチル)イミニオ]-2,5-シクロヘキサジエニリデン]-3-オキソ-1-シクロブテン-1-オールアニオン
  • 2-{4-[(カルボキシメチル)(メチル)アミノ]フェニル}-4-[(1Z,4Z)-4-[(カルボキシメチル)(メチル)イミニウミル]シクロヘキサ-2,5-ジエン-1-イリデン]-3-オキソシクロブタ-1-エン-1-オラート
  • 2-{4-[(carboxymethyl)(methyl)amino]phenyl}-4-[(1Z,4Z)-4-[(carboxymethyl)(methyl)iminiumyl]cyclohexa-2,5-dien-1-ylidene]-3-oxocyclobut-1-en-1-olate
Other name (1)：
  • 2-[4-[Methyl(carboxymethyl)amino]phenyl]-4-[4-[methyl(carboxymethyl)iminio]-2,5-cyclohexadienylidene]-3-oxo-1-cyclobutene-1-olanion
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