alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide

HCID 4145653
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Basic information

Standard SMILES
COc1cc(C=C(C#N)C(N)=O)c([N+](=O)[O-])cc1OC
InChIKey
QXQNQUBSIXWOQB-UHFFFAOYSA-N
Molecular formula
C12H11N3O5
Average molar mass
277.23 g/mol

Names & identifiers

Preferred name
alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide
IUPAC
2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide

Names & synonyms

SCHEMBL11547104QXQNQUBSIXWOQB-UHFFFAOYSA-N2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enamidealpha-Cyano -beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamidealpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide

Database identifiers

PubChem CID
4145653

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

Related reactions

8 records
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Compound notes

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