Compound Identification
SMILES
CCC1=NC(S\C(=C\C2=CC(=C(C=C2)N2CCCC2)[N+]([O-])=O)C([O-])=O)=NN1
InChIKey
InChIKey=AAXQDVVPFFOHPS-GXDHUFHOSA-M
Formula
C17H18N5O4S
Mass
388.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Phenylpyrrolidines Nitrobenzenes Aniline and substituted anilines Aryl thioethers Dialkylarylamines Nitroaromatic compounds Triazoles Pyrroles Heteroaromatic compounds Amino acids Thioenol ethers Carboxylic acid salts Organic oxoazanium compounds Carboxylic acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - 1-phenylpyrrolidine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Pyrrole - Pyrrolidine - Amino acid - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Amino acid or derivatives - Thioenolether - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available