Basic information
- CAS
115410-27-0- Standard SMILES
Cc1ccc2oc3c(c(=O)c2c1)C=Nc1cc([N+](=O)[O-])ccc1N3Cc1ccccc1- InChIKey
QIDUBWLXUUGCRR-UHFFFAOYSA-N- Molecular formula
- C24H17N3O4
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.12190603
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-methyl-9-nitro-6-(phenylmethyl)-
- IUPAC
- 6-benzyl-2-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-methyl-9-nitro-6-(phenylmethyl)-2-Methyl-9-nitro-6-(phenylmethyl)-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one115410-27-0DTXSID90151090RefChem:203803DTXCID50735816-Benzyl-2-methyl-9-nitro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
Database identifiers
- CAS
115410-27-0- PubChem CID
- 3087652
- DTXSID
DTXSID90151090
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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