N-(5-nitro-2-(pyrrol-1-yl)phenylmethyl)iminodicarboxylic acid di-tert-butyl ester

HCID 54574337
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N(Cc1cc([N+](=O)[O-])ccc1-n1cccc1)C(=O)OC(C)(C)C
InChIKey
ZZMKRWGTFRWCDE-UHFFFAOYSA-N
Molecular formula
C21H27N3O6
Average molar mass
417.5 g/mol

Names & identifiers

Preferred name
N-(5-nitro-2-(pyrrol-1-yl)phenylmethyl)iminodicarboxylic acid di-tert-butyl ester
IUPAC
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(5-nitro-2-pyrrol-1-ylphenyl)methyl]carbamate

Names & synonyms

SCHEMBL7740522ZZMKRWGTFRWCDE-UHFFFAOYSA-NN-(5-nitro-2-(pyrrol-1-yl)phenylmethyl)iminodicarboxylic acid di-tert-butyl ester

Database identifiers

PubChem CID
54574337

Properties

Computed structural properties

XLogP
4
Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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