Compound Identification
SMILES
CC1=C(C2=CC=CC=C2)[C@@]2(C)C[C@]3(N=NN([C@@H]3N3CCOCC3)C3=CC=C(C=C3)[N+]([O-])=O)[C@]1(C)C2=O
InChIKey
InChIKey=IJXVFLOVAAVRHA-YYGZZXRFSA-N
Formula
C27H29N5O4
Mass
487.56
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
Nitroaromatic compounds Morpholines Triazolines Ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Morpholine - Oxazinane - Triazoline - Ketone - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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