Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate

C₁₅H₂₁NO₈CAS 179688-26-7343.33 g/mol

Open in Covalent MOL file

Ester Ether Nitro

Properties

Molecular formula: C₁₅H₂₁NO₈
Molar mass: 343.33 g/mol
Exact mass: 343.1267 Da
logP: 1.82Crippen estimate
Polar surface area: 106.4 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 11

Identifiers

CAS number

179688-26-7

SMILES

CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1[N+](=O)[O-]

InChIKey

VOHOFZNVWZWVMA-UHFFFAOYSA-N

InChI

InChI=1S/C15H21NO8/c1-4-22-15(17)11-9-13(23-7-5-20-2)14(24-8-6-21-3)10-12(11)16(18)19/h9-10H,4-8H2,1-3H3

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Names and synonyms

1 names

Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester

Work with Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride183322-17-060 % similar Ethyl 3,4-bis(2-methoxyethoxy)benzoate183322-16-955 % similar Ethyl o-nitrobenzoate610-34-454 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-551 % similar Ethyl 4-chloro-3-nitrobenzoate16588-16-250 % similar 4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-649 % similar Ethyl 4-fluoro-3-nitrobenzoate367-80-649 % similar 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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