Compound Identification
SMILES
COC(=O)C1=C(N(CC2=CC3=C(C=C2)C(=CC2=CC=CC=C2O3)C#N)C(=O)OC(C)(C)C)C(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IVZWBROCWCPWJP-UHFFFAOYSA-N
Formula
C29H25N3O7
Mass
527.533
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Nitrobenzoic acids and derivatives Diarylethers Phenylcarbamic acid esters Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Vinylogous amides Methyl esters Carbamate esters Organic oxoazanium compounds Oxacyclic compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Nitrobenzoate - Phenylcarbamic acid ester - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Carbonyl group - Organic oxide - Cyanide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors
Not available