Benzoic acid, 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-1-oxopentyl]amino]-, ethyl ester (9CI)

Modify Date: 2025-08-25 16:07:30

Benzoic acid, 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-1-oxopentyl]amino]-, ethyl ester (9CI) Structure
Benzoic acid, 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-1-oxopentyl]amino]-, ethyl ester (9CI) structure
Common Name Benzoic acid, 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-1-oxopentyl]amino]-, ethyl ester (9CI)
CAS Number 334830-45-4 Molecular Weight 441.477
Density 1.2±0.1 g/cm3 Boiling Point 644.8±55.0 °C at 760 mmHg
Molecular Formula C23H27N3O6 Melting Point N/A
MSDS N/A Flash Point 343.7±31.5 °C

 Names

Name Ethyl 4-{[N-(4-methyl-3-nitrobenzoyl)isoleucyl]amino}benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 644.8±55.0 °C at 760 mmHg
Molecular Formula C23H27N3O6
Molecular Weight 441.477
Flash Point 343.7±31.5 °C
Exact Mass 441.189972
LogP 5.23
Vapour Pressure 0.0±1.9 mmHg at 25°C
Index of Refraction 1.588
InChIKey KXGRNAHZBJESPS-XOBRGWDASA-N
SMILES CCOC(=O)c1ccc(NC(=O)C(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)CC)cc1

 Synonyms

Ethyl 4-{[N-(4-methyl-3-nitrobenzoyl)isoleucyl]amino}benzoate
Benzoic acid, 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-1-oxopentyl]amino]-, ethyl ester
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