Compound Identification
SMILES
COC1=NON=C1OCC(C)(C)NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=ROKZVOYFIPQCAS-UHFFFAOYSA-N
Formula
C13H15N5O7
Mass
353.291
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Furazans Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Azole - Furazan - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Ether - Organic oxoazanium - Oxacycle - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - 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