Chem
J-GLOBAL ID：200907087837034742
Nikkaji number：J1.523.266H
6,11-Dihydro-dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 3-(4-nitro-1,3-dioxoisoindoline-2-yl)propyl ester
6,11-ジヒドロ-ジベンゾ[b,f][1,4]ジオキソシン-2-カルボン酸3-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)プロピル
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： C26H20N[N+]O7[O-]
Molecular formula furigana： C26-H20-N2-O8
Molecular weight： 488.452
InChI：
InChI=1S/C26H20N2O8/c29-24-19-7-3-8-20(28(32)33)23(19)25(30)27(24)11-4-12-34-26(31)16-9-10-21-22(13-16)36-15-18-6-2-1-5-17(18)14-35-21/h1-3,5-10,13H,4,11-12,14-15H2
InChI key：
SCTFUDFUAFKBPW-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1cccc2C(=O)N(CCCOC(=O)c3ccc4OCc5ccccc5COc4c3)C(=O)c12
Systematic name (3)：
- 6,11-ジヒドロ-ジベンゾ[b,f][1,4]ジオキソシン-2-カルボン酸3-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)プロピル
- 3-(4-ニトロ-1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)プロピル 2,11-ジオキサトリシクロ[10.4.0.04,9]ヘキサデカ-1(16),4,6,8,12,14-ヘキサエン-14-カルボキシラート
- 3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl 2,11-dioxatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-14-carboxylate
- 6,11-Dihydro-dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 3-(4-nitro-1,3-dioxoisoindoline-2-yl)propyl ester
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