Compound Identification
SMILES
COC1=CC(COC(=O)CCCCCO[N+]([O-])=O)=CC(OC)=C1C(=O)O[C@@H](CNC(C)(C)C)COC1=NSN=C1N1CCOCC1
InChIKey
InChIKey=CGQOLHPUYDAYPB-NRFANRHFSA-N
Formula
C29H43N5O11S
Mass
669.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
O-methoxybenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Benzyloxycarbonyls Dimethoxybenzenes Anisoles Phenoxy compounds Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Fatty acid esters Morpholines Imidolactams Thiadiazoles Heteroaromatic compounds Alkyl nitrates Amino acids and derivatives Carboxylic acid esters Organic nitro compounds Organic nitric acids and derivatives Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Carbonyl compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-methoxybenzoic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoate ester - Benzyloxycarbonyl - Phenol ether - Dialkylarylamine - Phenoxy compound - Methoxybenzene - Anisole - Benzoyl - Fatty acid ester - Alkyl aryl ether - Imidolactam - Fatty acyl - Oxazinane - Morpholine - Azole - Heteroaromatic compound - Organic nitrate - Alkyl nitrate - Thiadiazole - Tertiary amine - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available