Compound Identification
SMILES
[Cl-].OC(=O)C1=NC2=CC(N3C=NC(COC(=O)NC4=CC(Br)=CC=C4)=C3)=C(C=C2NC1=O)[N+]([O-])=O
InChIKey
InChIKey=MVEDKTIIVFTULS-UHFFFAOYSA-M
Formula
C20H13BrClN6O7
Mass
564.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylcarbamic acid esters
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Quinoxalines Pyrazine carboxylic acids Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Carbamate esters Heteroaromatic compounds Lactams Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organic oxides Organobromides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic chloride salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylcarbamic acid ester - Quinoxaline - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Organic nitro compound - Lactam - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Organic salt - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic chloride salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors
Not available