Basic information
- Standard SMILES
O=C(O)C1CN(C(=O)OCc2ccccc2)CCN1c1ncccc1[N+](=O)[O-]- InChIKey
KPBWRXVWKPZKOZ-UHFFFAOYSA-N- Molecular formula
- C18H18N4O6
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 1-(3-Nitro-2-pyridinyl)-4-carbobenzoxypiperazine-2-carboxylic acid
- IUPAC
- 1-(3-nitro-2-pyridinyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Names & synonyms
SCHEMBL11474488KPBWRXVWKPZKOZ-UHFFFAOYSA-N1-(3-Nitro-2-pyridinyl)-4-carbobenzoxypiperazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 23339769
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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