Compound Identification
SMILES
CCOC(=O)C=C(C)N1N=C(CC1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=RKEBQHPVFCVVNU-UHFFFAOYSA-N
Formula
C22H23N3O5
Mass
409.442
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
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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 Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Fatty acid esters Vinylogous amides Pyrazolines Enoate esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrazones Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Pyrazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Hydrazone - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - 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