CAS 1012067-92-3

Benzoic acid, 5-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-2-nitro-, ethyl ester

Description:

Benzoic acid, 5-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-2-nitro-, ethyl ester, identified by CAS number 1012067-92-3, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety modified with various functional groups. This compound features an ethyl ester group, which enhances its solubility in organic solvents, making it useful in various applications. The presence of a nitro group indicates potential reactivity, particularly in electrophilic substitution reactions. The ethoxy and heptyl components suggest that the compound may exhibit hydrophobic characteristics, influencing its behavior in biological systems and its potential as a pharmaceutical agent. Additionally, the methoxy group can affect the compound's electronic properties and steric hindrance, which may play a role in its biological activity. Overall, this compound's unique combination of functional groups may contribute to its potential applications in medicinal chemistry, agrochemicals, or as an intermediate in organic synthesis.

Formula: C₁₉H₂₇NO₈

InChI: InChI=1S/C19H27NO8/c1-4-26-18(21)10-8-6-7-9-11-28-17-12-14(19(22)27-5-2)15(20(23)24)13-16(17)25-3/h12-13H,4-11H2,1-3H3

InChI key: InChIKey=QQDZZCLGQWKLFT-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(N(=O)=O)C=C(OC)C(OCCCCCCC(OCC)=O)=C1

Synonyms:

• Benzoic acid, 5-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-2-nitro-, ethyl ester
• Ethyl 5-(7-ethoxy-7-oxoheptyloxy)-4-methoxy-2-nitrobenzoate

Ethyl 5-((7-ethoxy-7-oxoheptyl)oxy)-4-methoxy-2-nitrobenzoate

CAS: 1012067-92-3

Formula: C₁₉H₂₇NO₈

Molecular weight: 397.4196

Ref: IN-DA0003YW