200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 807335-41-7
807335-41-7 | Benzamide, 3-nitro-N-(1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinyl)-
CAS No: 807335-41-7 Catalog No: AG005JR9 MDL No:
Product Description
Catalog Number:
AG005JR9
Chemical Name:
Benzamide, 3-nitro-N-(1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinyl)-
CAS Number:
807335-41-7
Molecular Formula:
C16H9N3O6
Molecular Weight:
339.2592
IUPAC Name:
3-nitro-N-(1,3,4-trioxoisoquinolin-5-yl)benzamide
InChI:
InChI=1S/C16H9N3O6/c20-13-12-10(15(22)18-16(13)23)5-2-6-11(12)17-14(21)8-3-1-4-9(7-8)19(24)25/h1-7H,(H,17,21)(H,18,22,23)
InChI Key:
MUHRCQVERAKWFB-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1cccc2c1C(=O)C(=O)NC2=O
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.049g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.263g/mol
Monoisotopic Mass:
339.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. | Journal of medicinal chemistry 20060309 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.