[2-Nitro-3-(3-nitro-phenylamino)-phenyl]-acetic acid ethyl ester

HCID 59804286
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Basic information

Standard SMILES
CCOC(=O)Cc1cccc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]
InChIKey
BAOXAJUVOGIUTI-UHFFFAOYSA-N
Molecular formula
C16H15N3O6
Average molar mass
345.31 g/mol
Monoisotopic mass
345.09608521

Names & identifiers

Preferred name
[2-Nitro-3-(3-nitro-phenylamino)-phenyl]-acetic acid ethyl ester
IUPAC
ethyl 2-[2-nitro-3-(3-nitroanilino)phenyl]acetate

Names & synonyms

SCHEMBL396173BAOXAJUVOGIUTI-UHFFFAOYSA-N[2-nitro-3-(3-nitro-phenylamino)-phenyl]-acetic acid ethyl ester

Database identifiers

PubChem CID
59804286

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
130 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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