Compound Identification
SMILES
COC1=CC(=C(C=C1)C(OCC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C2=C1C(N)=NC=N2)C(C)C)[N+]([O-])=O
InChIKey
InChIKey=YLSGPPBOHRAWKR-BSWYJCKLSA-N
Formula
C23H32N5O16P3
Mass
727.449
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
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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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
Nitrophenyl ethers
Alternative Parents
Pyrrolo[2,3-d]pyrimidines Phenylpropanes Benzylethers Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Monoalkyl phosphates Substituted pyrroles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Pyrrolo[2,3-d]pyrimidine - Benzylether - Phenylpropane - Pyrrolopyrimidine - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Substituted pyrrole - Alkyl phosphate - Imidolactam - Pyrrole - Heteroaromatic compound - Oxolane - Organic nitro compound - Secondary alcohol - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Oxacycle - Organic oxoazanium - Organic zwitterion - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available