Compound Identification
SMILES
COC1=CC=C(NC2=NC(N\N=C/C3=CC=C(O3)C3=CC=C(Cl)C=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=VUMSSYQFPRKRNT-MWLSYYOVSA-N
Formula
C27H21ClN8O4
Mass
556.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Methoxyanilines 1,3,5-triazine-2,4-diamines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes 1,3,5-triazines Aryl chlorides Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrazones Organopnictogen compounds Organic salts Organochlorides Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Halobenzene - Aminotriazine - Chlorobenzene - Aryl chloride - 1,3,5-triazine - Triazine - Aryl halide - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Hydrazone - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organohalogen compound - Organic zwitterion - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic 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