Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=O)CCC2=C(C)N(CCC#N)N=C2C)C(Br)=C1
InChIKey
InChIKey=SMDMAHFFDOCUNH-UHFFFAOYSA-N
Formula
C21H27BrN4O3
Mass
463.376
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Fatty amides Aryl bromides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Fatty amide - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - 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