Basic information
- CAS
862785-30-6- Standard SMILES
N/C(=N\OC(=O)C=Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1- InChIKey
UJMAGJMWYZSTTF-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O4
- Average molar mass
- 345.73 g/mol
- Monoisotopic mass
- 345.0516336
Names & identifiers
- Preferred name
- [Imino(3-nitrophenyl)methyl]azanyl 3-(2-chlorophenyl)-2-propenoate
- IUPAC
- [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 3-(2-chlorophenyl)prop-2-enoate
Names & synonyms
DTXSID001165483[Imino(3-nitrophenyl)methyl]azanyl 3-(2-chlorophenyl)-2-propenoateN-{[3-(2-Chlorophenyl)prop-2-enoyl]oxy}-3-nitrobenzene-1-carboximidamide862785-30-6
Database identifiers
- CAS
862785-30-6- PubChem CID
- 72178554
- DTXSID
DTXSID001165483
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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