Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)NC(=S)N1CCN(CC1)C1=C(C=C(Cl)C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=ADPXXEOFFQKIBU-UHFFFAOYSA-N
Formula
C19H18ClN5O6S
Mass
479.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Phenylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Nitrophenyl ethers Benzoic acids and derivatives Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Amino acids and derivatives Thioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organochlorides Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Organic nitro compound - Thiourea - Tertiary amine - C-nitro compound - Amino acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organic salt - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organic zwitterion - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available