Compound Identification
SMILES
NC1=C(Br)C2=C3C(=CC=C2)C(=O)OC(=O)C3=C1
InChIKey
InChIKey=IWFWMRLHSLBXCQ-UHFFFAOYSA-N
Formula
C12H6BrNO3
Mass
292.088
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 1,8-naphthalic anhydrides
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Subclass
Naphthalenecarboxylic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1,8-naphthalic anhydrides
Alternative Parents
2-benzopyrans 2-bromoanilines Dicarboxylic acids and derivatives Aryl bromides Carboxylic acid anhydrides Amino acids and derivatives Oxacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,8-naphthalic anhydride - Benzopyran - 2-benzopyran - 2-bromoaniline - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Amino acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,8-naphthalic anhydrides. These are organic aromatic compounds that contain a naphthalene carrying two carboxyl groups at the 1- and 8-positions. In naphthalene anhydrides, the two carboxyl groups at the 1- and 8-positions share one oxygen atom.
External Descriptors
Not available