Chem
J-GLOBAL ID：200907079157894949
Nikkaji number：J476.342D
N-[4-[3-(4-ニトロフェノキシ)プロピル]-2-モルホリニルメチル]-3-クロロ-4-アミノ-6-メトキシベンズアミド
N-[4-[3-(4-ニトロフェノキシ)プロピル]-2-モルホリニルメチル]-3-クロロ-4-アミノ-6-メトキシベンズアミド
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： C22H27ClN3[N+]O5[O-]
Molecular formula furigana： C22-H27-CL-N4-O6
Molecular weight： 478.930
InChI：
InChI=1S/C22H27ClN4O6/c1-31-21-12-20(24)19(23)11-18(21)22(28)25-13-17-14-26(8-10-33-17)7-2-9-32-16-5-3-15(4-6-16)27(29)30/h3-6,11-12,17H,2,7-10,13-14,24H2,1H3,(H,25,28)
InChI key：
LSWAOVGVHZWQHH-UHFFFAOYSA-N
SMILES：
COc1cc(N)c(Cl)cc1C(=O)NCC1CN(CCCOc2ccc(cc2)[N+](=O)[O-])CCO1
Systematic name (3)：
- N-[4-[3-(4-ニトロフェノキシ)プロピル]-2-モルホリニルメチル]-3-クロロ-4-アミノ-6-メトキシベンズアミド
- 4-アミノ-5-クロロ-2-メトキシ-N-({4-[3-(4-ニトロフェノキシ)プロピル]モルホリン-2-イル}メチル)ベンズアミド
- 4-amino-5-chloro-2-methoxy-N-({4-[3-(4-nitrophenoxy)propyl]morpholin-2-yl}methyl)benzamide
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