[[4-[(4-Chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate

HCID 347299

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 7509-90-2
Standard SMILES: CC(=O)ON=C1C=CC(=C(C#N)c2ccc(Cl)cc2)C=C1
InChIKey: KCFMYCCDHQDVML-UHFFFAOYSA-N
Molecular formula: C16H11ClN2O2
Average molar mass: 298.72 g/mol
Monoisotopic mass: 298.0509053

Names & identifiers

Preferred name: [[4-[(4-Chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
IUPAC: [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate

Names & synonyms

7509-90-2NSC405904[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetateDTXSID20324159NSC-405904(2Z)-{(4Z)-4-[(Acetyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(4-chlorophenyl)acetonitrile

Database identifiers

CAS: 7509-90-2
PubChem CID: 347299
DTXSID: DTXSID20324159

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 62.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 567

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…