Compound Identification
SMILES
OC1=CC=C(\C=C\C(=O)N2N=C(OC2C2=CC3=CC=CC=C3N=C2Cl)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ABWWSKGZEDOCHF-VGOFMYFVSA-N
Formula
C26H17ClN4O5
Mass
500.9
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Chloroquinolines Nitrobenzenes Styrenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 2-halopyridines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organochlorides Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Chloroquinoline - Haloquinoline - Quinoline - Nitrobenzene - Styrene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 2-halopyridine - Benzenoid - Aryl halide - Aryl chloride - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available