ethyl 2-(4-nitroanilino)acetate

C10H12N2O4 — CID 19173

IUPACethyl 2-(4-nitroanilino)acetate
SMILESCCOC(=O)CNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-3-5-9(6-4-8)12(14)15/h3-6,11H,2,7H2,1H3
InChIKeyZJSORJPYCPRKMN-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.57
Rot. Bonds5

About ethyl 2-(4-nitroanilino)acetate

ethyl 2-(4-nitroanilino)acetate (PubChem CID 19173) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 2-(4-nitroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-nitroanilino)acetate
PubChem CID19173
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-(4-nitroanilino)acetate
SMILESCCOC(=O)CNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-3-5-9(6-4-8)12(14)15/h3-6,11H,2,7H2,1H3
InChIKeyZJSORJPYCPRKMN-UHFFFAOYSA-N
XLogP1.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-nitroanilino)acetate?
The IUPAC name of ethyl 2-(4-nitroanilino)acetate (CID 19173) is ethyl 2-(4-nitroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-nitroanilino)acetate?
The canonical SMILES for ethyl 2-(4-nitroanilino)acetate is CCOC(=O)CNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2-(4-nitroanilino)acetate?
The InChIKey is ZJSORJPYCPRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-3-5-9(6-4-8)12(14)15/h3-6,11H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-nitroanilino)acetate?
ethyl 2-(4-nitroanilino)acetate has a molecular weight of 224.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-nitroanilino)acetate is sourced from PubChem (CID 19173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).