Compound Identification
SMILES
CCOC(=O)NC1=NC(N)=C(C(=C1)N(C)CC(O)CN(C)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IYUBYZUBQDHREY-UHFFFAOYSA-N
Formula
C19H26N6O5
Mass
418.454
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Imidolactams Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Carbamic acid ester - 1,2-aminoalcohol - Carbonic acid derivative - Secondary alcohol - Tertiary amine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Alcohol - Amine - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available