(4E)-4-[(4-methoxyphenyl)imino]-3-nitro-4H-chromen-2-ol
Basic information
- CAS
88353-25-7- Standard SMILES
COc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1- InChIKey
NXXISVHVJNIANI-UHFFFAOYSA-N- Molecular formula
- C16H12N2O5
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.07462149
Names & identifiers
- Preferred name
- (4E)-4-[(4-methoxyphenyl)imino]-3-nitro-4H-chromen-2-ol
- IUPAC
- 4-(4-methoxyanilino)-3-nitrochromen-2-one
Names & synonyms
88353-25-7STK5630974-((4-methoxyphenyl)amino)-3-nitro-2H-chromen-2-oneOprea1_419697DTXSID30389537(4E)-4-[(4-methoxyphenyl)imino]-3-nitro-4H-chromen-2-olAKOS003669725AKOS005488872ST509828534-[(4-methoxyphenyl)amino]-3-nitrochromen-2-one4-(4-Methoxyanilino)-3-nitro-2H-1-benzopyran-2-one
Database identifiers
- CAS
88353-25-7- PubChem CID
- 3124619
- DTXSID
DTXSID30389537
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
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Compound notes
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