methyl 3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate

HCID 18616331
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1[nH]ccc1-c1ccc([N+](=O)[O-])cc1
InChIKey
VWIVHTAPBGSFBE-UHFFFAOYSA-N
Molecular formula
C12H10N2O4
Average molar mass
246.22 g/mol

Names & identifiers

Preferred name
methyl 3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate
IUPAC
methyl 3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate

Names & synonyms

methyl 3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate902138-24-3MFCD31735586SCHEMBL4482331VWIVHTAPBGSFBE-UHFFFAOYSA-NAC7181AKOS037631044SY247029CS-0459401

Database identifiers

PubChem CID
18616331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
87.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

5 records
New reaction record

Linked notes

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