Compound Identification
SMILES
CCOC(=O)NC1=NC(N)=C(C(NCC(=O)CN(C)C2=CC=C(Cl)C=C2)=C1)[N+]([O-])=O
InChIKey
InChIKey=GLGSUVPRWWODNL-UHFFFAOYSA-N
Formula
C18H21ClN6O5
Mass
436.85
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 Secondary alkylarylamines Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Alpha-amino ketones Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Primary amines Organic zwitterions Organochlorides Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Alpha-aminoketone - Carbamic acid ester - Carbonic acid derivative - Ketone - Tertiary amine - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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