4-(3-nitro-2-methoxy-phenyl)-1-(p-tolylsulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester

HCID 59615690
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Basic information

Standard SMILES
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2OC)cn1S(=O)(=O)c1ccc(C)cc1
InChIKey
UVGKQVVHSVASLH-UHFFFAOYSA-N
Molecular formula
C20H18N2O7S
Average molar mass
430.4 g/mol
Monoisotopic mass
430.08347209

Names & identifiers

Preferred name
4-(3-nitro-2-methoxy-phenyl)-1-(p-tolylsulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester
IUPAC
methyl 4-(2-methoxy-3-nitrophenyl)-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate

Names & synonyms

SCHEMBL3360714UVGKQVVHSVASLH-UHFFFAOYSA-N4-(3-nitro-2-methoxy-phenyl)-1-(p-tolylsulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
59615690

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
129 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

3 records
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Compound notes

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