Chem
J-GLOBAL ID：200907048609499403
Nikkaji number：J1.430.520C
3-Amino-2,4-dicyano-5-isobutylbenzoic acid ethyl ester
3-アミノ-2,4-ジシアノ-5-イソブチル安息香酸エチル
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： C15H17N3O2
Molecular formula furigana： C15-H17-N3-O2
Molecular weight： 271.320
InChI：
InChI=1S/C15H17N3O2/c1-4-20-15(19)11-6-10(5-9(2)3)12(7-16)14(18)13(11)8-17/h6,9H,4-5,18H2,1-3H3
InChI key：
XCLBRKTUTUOPJJ-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1cc(CC(C)C)c(C#N)c(N)c1C#N
Systematic name (3)：
- 3-アミノ-2,4-ジシアノ-5-イソブチル安息香酸エチル
- エチル 3-アミノ-2,4-ジシアノ-5-(2-メチルプロピル)ベンゾアート
- ethyl 3-amino-2,4-dicyano-5-(2-methylpropyl)benzoate
- 3-Amino-2,4-dicyano-5-isobutylbenzoic acid ethyl ester
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