Basic information
- Standard SMILES
CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1)OCO3- InChIKey
DJXIVFHYOLZSBW-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine
- IUPAC
- 8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
Names & synonyms
SCHEMBL5416313DJXIVFHYOLZSBW-UHFFFAOYSA-N1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine(+/-)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(-)-1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine5-(4-nitrophenyl)-8-methyl-9H-7H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine
Database identifiers
- PubChem CID
- 10336422
- Nikkaji
- J660.385H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Related reactions
34 records
Linked notes
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