Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]- InChIKey
SEBCMXBMRAVLDL-UHFFFAOYSA-N- Molecular formula
- C13H17N3O4
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.12190603
Names & identifiers
- Preferred name
- (4-Methoxy-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
- IUPAC
- (4-methoxy-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
349399-03-7(4-methoxy-3-nitrophenyl)(4-methylpiperazin-1-yl)methanone(4-methoxy-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanoneOprea1_342200Oprea1_505620SCHEMBL520898SEBCMXBMRAVLDL-UHFFFAOYSA-NSTK076195AKOS001649364DB-131072ST451359651-{3-nitro-4-methoxybenzoyl}-4-methylpiperazine
Show more names
AB00092032-014-methoxy-3-nitrophenyl 4-methylpiperazinyl ketoneAG-690/12072805SR-01000478398SR-01000478398-1(4-Methoxy-3-nitro-phenyl)-(4-methyl-piperazin-1-yl)-methanone
Database identifiers
- PubChem CID
- 718004
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
2 records
Compound notes
Loading…