Compound Identification
SMILES
COC1=C(OC)C=C(C(NC2=CC=C(C=C2)C(N)=N)C2=NC(=O)N(N2)C2=C(C=NN2)C(O)=O)C(F)=C1
InChIKey
InChIKey=BXNKZKLTFCOOIY-UHFFFAOYSA-N
Formula
C22H21FN8O5
Mass
496.459
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
Aniline and substituted anilines Pyrazole carboxylic acids and derivatives Phenylalkylamines Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alkylarylamines Fluorobenzenes Aryl fluorides Vinylogous amides Triazoles Heteroaromatic compounds Amino acids Carboximidamides Carboxamidines Azacyclic compounds Carboxylic acids Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Pyrazole-4-carboxylic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Aralkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Pyrazole - Vinylogous amide - 1,2,4-triazole - Amino acid - Amino acid or derivatives - Carboximidamide - Secondary amine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Amidine - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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