Basic information
- CAS
6054-51-9- Standard SMILES
COc1cc(C(=O)O/N=C2\CCCc3c2ccc(OC)c3[N+](=O)[O-])cc(OC)c1OC- InChIKey
LFIRTRQMMKUPNZ-PXLXIMEGSA-N- Molecular formula
- C21H22N2O8
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.13761566
Names & identifiers
- Preferred name
- 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime
- IUPAC
- [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 3,4,5-trimethoxybenzoate
Names & synonyms
6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime6054-51-9SMR000141199[(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 3,4,5-trimethoxybenzoateMLS000533761MLS002540315CHEMBL1897420DTXSID10417408CCG-13694BIM-0020473.P001SR-01000226343SR-01000226343-1
Show more names
{[(E)-(6-Methoxy-5-nitro-3,4-dihydronaphthalen-1(2H)-ylidene)amino]oxy}(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
6054-51-9- PubChem CID
- 5347181
- DTXSID
DTXSID10417408- ChEMBL
CHEMBL1897420- EC Number
- 611-987-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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