[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21de1b8acd3e4baa9711b6c493d04289.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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CAS No:
753472-54-7
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Formula:
C21H17N3O9
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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Synonyms:
ZINC2660154;AKOS033779865;MCULE-9126035970;Z21652039;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate;753472-54-7
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Basic Attributes
455.4 g/mol
455.09647913 g/mol
Computed Properties
Molecular Weight:455.4
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:455.09647913
Monoisotopic Mass:455.09647913
Topological Polar Surface Area:157
Heavy Atom Count:33
Complexity:813
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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