2-(4-Tert-butyl-benzoylamino)-4-nitro-benzoic acid methyl ester

HCID 69194529
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Basic information

Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIKey
ZVHWGTNZYKAGMO-UHFFFAOYSA-N
Molecular formula
C19H20N2O5
Average molar mass
356.4 g/mol

Names & identifiers

Preferred name
2-(4-Tert-butyl-benzoylamino)-4-nitro-benzoic acid methyl ester
IUPAC
methyl 2-[(4-tert-butylbenzoyl)amino]-4-nitrobenzoate

Names & synonyms

SCHEMBL4796441ZVHWGTNZYKAGMO-UHFFFAOYSA-N2-(4-tert-butyl-benzoylamino)-4-nitro-benzoic acid methyl ester

Database identifiers

PubChem CID
69194529

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

6 records
New reaction record

Linked notes

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