Compound Identification
SMILES
O[C@H]1[C@@H](O)C2=C(C3=CC=CC=C3C3=C2C2=C(C=CC=C12)C=C3)[N+]([O-])=O
InChIKey
InChIKey=UBXHWWDTLKMUPE-UXHICEINSA-N
Formula
C20H13NO4
Mass
331.327
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Chrysenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Chrysenes
Intermediate Tree Nodes
Not available
Direct Parent
Chrysenes
Alternative Parents
Nitronaphthalenes Nitroaromatic compounds Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Chrysene - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Nitroaromatic compound - 1,2-diol - C-nitro compound - Secondary alcohol - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
External Descriptors
Not available