Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NN1CC(=O)C(=C1N)C1=NC(=CS1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=SHJGQGQCFSNSAP-UHFFFAOYSA-N
Formula
C22H19N5O6S
Mass
481.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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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
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Benzoic acids and derivatives Nitrobenzenes Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Vinylogous amides Pyrrolines Heteroaromatic compounds Carboxylic acid hydrazides Cyclic ketones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic salts Organic zwitterions Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Pyrroline - Thiazole - Vinylogous amide - Cyclic ketone - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Ketone - Ketene acetal or derivatives - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Ether - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available