Compound Identification
SMILES
COCC(O)CN1CCN(CC1)C1=C(C=C(C=C1[N+]([O-])=O)C(=O)OC)[N+]([O-])=O
InChIKey
InChIKey=RZIHNRZICHVBKB-UHFFFAOYSA-N
Formula
C16H22N4O8
Mass
398.372
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
N-arylpiperazines Phenylpiperazines Nitrobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds N-alkylpiperazines Methyl esters Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Phenylpiperazine - N-arylpiperazine - Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzoyl - N-alkylpiperazine - 1,4-diazinane - Piperazine - Methyl ester - Carboxylic acid ester - Organic nitro compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary alcohol - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available