[2-[2-[5-(2-Carbamoylanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
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Basic information
- Standard SMILES
COC(=O)C(=NNC(=O)C[N+](C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O- InChIKey
GVVMBFATDTYERO-UHFFFAOYSA-O- Molecular formula
- C20H26N5O8+
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.1781378
Names & identifiers
- Preferred name
- [2-[2-[5-(2-Carbamoylanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
- IUPAC
- [2-[2-[5-(2-carbamoylanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Names & synonyms
NCI60_014267
Database identifiers
- PubChem CID
- 369871
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 833
Related reactions
0 records
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Compound notes
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