Compound Identification
SMILES
CC1=NC(=C(OCC(=O)N2N=C(CC2C2=CC=CO2)C2=CC=C(Cl)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=GFQYKFQVFAOZOW-UHFFFAOYSA-N
Formula
C21H17ClN4O5
Mass
440.84
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
Alkyl aryl ethers Chlorobenzenes Methylpyridines Aryl chlorides Imidolactams Pyrazolines Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Alkyl aryl ether - Methylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Furan - Pyrazoline - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Organic nitrogen compound - 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