Basic information
- CAS
119707-45-8- Standard SMILES
CCC1c2c(cccc2[N+](=O)[O-])OC2=NC3=C(C=C(Cl)C(C)C3=O)N=CC21- InChIKey
HZYKWFCOYHVUKR-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O4
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.0829337
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-6-ethyl-1-methyl-7-nitro-
- IUPAC
- 9-chloro-13-ethyl-8-methyl-1-nitro-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one
Names & synonyms
119707-45-8(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-2-chloro-6-ethyl-1-methyl-7-nitro-RefChem:203772DTXSID009230839-Chloro-13-ethyl-8-methyl-1-nitro-12a,13-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-7(8H)-one
Database identifiers
- CAS
119707-45-8- PubChem CID
- 60709
- DTXSID
DTXSID00923083
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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