Chem
J-GLOBAL ID：201407021052026609
Nikkaji number：J3.269.731C
(1E,3Z)-3-(4-Bromophenyl)-4-cyano-1,3-butadiene-1,2,4-tricarboxylic acid 1,2-dimethyl 4-ethyl ester
(1E,3Z)-3-(4-ブロモフェニル)-4-シアノ-1,3-ブタジエン-1,2,4-トリカルボン酸1,2-ジメチル4-エチル
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
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
Molecular formula： C18H16BrNO6
Molecular formula furigana： C18-H16-BR-N-O6
Molecular weight： 422.231
InChI：
InChI=1S/C18H16BrNO6/c1-4-26-18(23)14(10-20)16(11-5-7-12(19)8-6-11)13(17(22)25-3)9-15(21)24-2/h5-9H,4H2,1-3H3/b13-9+,16-14-
InChI key：
UDRDJLAXGUDAET-RHOXIIILSA-N
SMILES：
CCOC(=O)/C(=C(\C(=C/C(=O)OC)\C(=O)OC)/c1ccc(Br)cc1)/C#N
Systematic name (3)：
- (1E,3Z)-3-(4-ブロモフェニル)-4-シアノ-1,3-ブタジエン-1,2,4-トリカルボン酸1,2-ジメチル4-エチル
- 4-エチル 1,2-ジメチル (1E,3Z)-3-(4-ブロモフェニル)-4-シアノブタ-1,3-ジエン-1,2,4-トリカルボキシラート
- 4-ethyl 1,2-dimethyl (1E,3Z)-3-(4-bromophenyl)-4-cyanobuta-1,3-diene-1,2,4-tricarboxylate
- (1E,3Z)-3-(4-Bromophenyl)-4-cyano-1,3-butadiene-1,2,4-tricarboxylic acid 1,2-dimethyl 4-ethyl ester
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