Compound Identification
SMILES
COC1=CC=C(C=C1)C12OC(=N)C(C#N)(C1C)C(C#N)(C#N)C(O2)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VSRQRFZYYWYRRL-UHFFFAOYSA-N
Formula
C23H16ClN5O5
Mass
477.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 1,3-dioxepanes Alkyl aryl ethers Chlorobenzenes Ketals Oxanes Aryl chlorides Oxolanes Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - 1,3-dioxepane - Alkyl aryl ether - Chlorobenzene - Ketal - Dioxepane - Halobenzene - Aryl chloride - Aryl halide - Oxane - Oxolane - Imido ester - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Acetal - Ether - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Cyanide - Organic oxide - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available