Basic information
- CAS
119707-46-9- Standard SMILES
CC1C(=O)C2=C(C=C1Cl)N=CC1C(=N2)Oc2cccc([N+](=O)[O-])c2C1Cc1ccccc1- InChIKey
DSLWVPMIWHYSCX-UHFFFAOYSA-N- Molecular formula
- C24H18ClN3O4
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.0985838
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-1-methyl-7-nitro-6-(phenylmethyl)-
- IUPAC
- 13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one
Names & synonyms
119707-46-9(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-1-methyl-7-nitro-6-(phenylmethyl)-RefChem:203771DTXSID6092308413-Benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-7(8H)-one
Database identifiers
- CAS
119707-46-9- PubChem CID
- 60710
- DTXSID
DTXSID60923084
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 928
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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