3-[3-[[(E)-3-(1,3-Benzodioxol-5-yl)-1-oxo-2-propenyl]amino]phenyl]-(E)-2-propenoic acid methyl ester

HCID 57796874
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)/C=C/c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1
InChIKey
BDBRGZXNOZWXDZ-KZZDLZNXSA-N
Molecular formula
C20H17NO5
Average molar mass
351.4 g/mol
Monoisotopic mass
351.11067264

Names & identifiers

Preferred name
3-[3-[[(E)-3-(1,3-Benzodioxol-5-yl)-1-oxo-2-propenyl]amino]phenyl]-(E)-2-propenoic acid methyl ester
IUPAC
methyl (E)-3-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate

Names & synonyms

SCHEMBL1232591BDBRGZXNOZWXDZ-KZZDLZNXSA-N3-[3-[[(E)-3-(1,3-Benzodioxol-5-yl)-1-oxo-2-propenyl]amino]phenyl]-(E)-2-propenoic acid methyl ester

Database identifiers

PubChem CID
57796874

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Compound notes

Loading…