2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-5-nitro-3H-indolium chloride
Basic information
- CAS
72906-18-4- Standard SMILES
COc1ccc(CN/N=C/C2=[N+](C)c3ccc([N+](=O)[O-])cc3C2(C)C)cc1.[Cl-]- InChIKey
NRMXDBVMUKPTCI-UHFFFAOYSA-N- Molecular formula
- C20H23ClN4O3
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1458683
Names & identifiers
- Preferred name
- 2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-5-nitro-3H-indolium chloride
- IUPAC
- 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-5-nitroindol-1-ium-2-yl)methylideneamino]methanamine chloride
Names & synonyms
2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-5-nitro-3H-indolium chloride2-[[(4-METHOXYPHENYL)METHYLHYDRAZONO]METHYL]-1,3,3-TRIMETHYL-5-NITRO-3H-INDOLIUM CHLORIDE
Database identifiers
- CAS
72906-18-4- PubChem CID
- 9577908
Properties
Computed structural properties
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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