Chem
J-GLOBAL ID：200907026719056163
Nikkaji number：J1.838D
1-Nitropyrene
1-ニトロピレン
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： C16H9[N+]O[O-]
Molecular formula furigana： C16-H9-N-O2
Molecular weight： 247.253
InChI：
InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChI key：
ALRLPDGCPYIVHP-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
Systematic name (2)：
- 1-ニトロピレン
- 1-nitropyrene
- 1-Nitropyrene
Regulation number (4)：
- (4)-391
- UR2480000
- EINECS2268682
- TSCA(5522-43-0)
KEGG COMPOUND：
C14421
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