Basic information
- CAS
6063-69-0- Standard SMILES
COc1ccc(N2CC(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1- InChIKey
BRRUJFHWMBYBFZ-RGVLZGJSSA-N- Molecular formula
- C19H18N4O5
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.12771969
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
- IUPAC
- 1-(4-methoxyphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
Names & synonyms
6063-69-01-(4-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazideSTK0136651-(4-methoxyphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1-(4-methoxyphenyl)-N'-(4-nitrobenzylidene)-5-oxo-3-pyrrolidinecarbohydrazideMLS000684282CHEMBL3191130DTXSID50417422AKOS000340576AKOS022083585SMR000268098BIM-0043418.P001
Show more names
SR-01000226598SR-01000226598-1
Database identifiers
- CAS
6063-69-0- PubChem CID
- 5347388
- DTXSID
DTXSID50417422- ChEMBL
CHEMBL3191130
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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