Ethyl 2-methoxycarbonyloxyimino-2-cyanoacetate

HCID 54529457

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(C#N)=NOC(=O)OC
InChIKey: YVLYRIWISYQNKJ-UHFFFAOYSA-N
Molecular formula: C7H8N2O5
Average molar mass: 200.15 g/mol

Names & identifiers

Preferred name: Ethyl 2-methoxycarbonyloxyimino-2-cyanoacetate
IUPAC: ethyl 2-cyano-2-methoxycarbonyloxyiminoacetate

Names & synonyms

SCHEMBL11327516YVLYRIWISYQNKJ-UHFFFAOYSA-Nethyl 2-methoxycarbonyloxyimino-2-cyanoacetate

Database identifiers

PubChem CID: 54529457

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 98 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 300

Related reactions

8 records

New reaction record

HRID 98552As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 198723As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204172As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1283757As productuspto-grants-1976_08

HRID 1283758As productuspto-grants-1976_08

HRID 1283764As reactantuspto-grants-1976_08

HRID 1283774As reactantuspto-grants-1976_08

HRID 2137698As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…