Compound Identification
SMILES
CCOC(=O)C1=NN(C2=CC=C(C=C2)[N+]([O-])=O)[C@@]2(C)C[C@@]3(N(N=C(N3C3=CC=CC=C3N12)C(=O)OCC)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=AZSNWJZCHJVPIN-MPQUPPDSSA-N
Formula
C36H32N8O8
Mass
704.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolodiazepines
Alternative Parents
Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds 1,4-diazepines Imidolactams Dicarboxylic acids and derivatives Triazolines Carboxylic acid esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Amidines Hydrazones Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Triazolo-para-diazepine - Nitrobenzene - Nitroaromatic compound - Para-diazepine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Triazoline - Carboxylic acid amidrazone - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Amidine - Carboxylic acid derivative - Azacycle - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available