Basic information
- CAS
17617-18-4- Standard SMILES
O=C1CN2CCc3ccccc3C2c2cc([N+](=O)[O-])ccc2N1- InChIKey
IDEHZZWNGUGGAP-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-nitro-
- IUPAC
- 2-nitro-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
- English name
- 5,9,10,14b-Tetrahydro-2-nitroisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
- Molecular weight
- 0
Names & synonyms
17617-18-4BRN 07634492-Nitro-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-oneISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-6(7H)-ONE, 5,9,10,14b-TETRAHYDRO-2-NITRO-RefChem:3498572-nitro-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one5,9,10,14b-Tetrahydro-2-nitroisoquino[2,1-d][1,4]benzodiazepin-6(7H)-oneDTXSID309387662-Nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Database identifiers
- CAS
17617-18-4- PubChem CID
- 28646
- DTXSID
DTXSID30938766- Nikkaji
- J41.117E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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