Compound Identification
SMILES
COC1=CC2=C(NC=C2CCNC2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=RAYPSZFWTIPCRF-UHFFFAOYSA-N
Formula
C17H16N4O5
Mass
356.338
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
Tryptamines and derivatives 3-alkylindoles Nitrobenzenes Phenylalkylamines Anisoles Nitroaromatic compounds Secondary alkylarylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - Tryptamine - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Anisole - Phenol ether - Nitroaromatic compound - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Amine - Aromatic heteropolycyclic 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