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303987-19-1 | 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-3,5(13),6,8-tetraene-3-carboxamide
CAS No: 303987-19-1 Catalog No: AG00INN2 MDL No:MFCD01568727
Product Description
Catalog Number:
AG00INN2
Chemical Name:
4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-3,5(13),6,8-tetraene-3-carboxamide
CAS Number:
303987-19-1
Molecular Formula:
C19H15N3O5
Molecular Weight:
365.3395
MDL Number:
MFCD01568727
IUPAC Name:
4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
InChI:
InChI=1S/C19H15N3O5/c23-17-14-8-1-4-11-5-3-9-21(16(11)14)19(25)15(17)18(24)20-12-6-2-7-13(10-12)22(26)27/h1-2,4,6-8,10,23H,3,5,9H2,(H,20,24)
InChI Key:
XDWLNWZNNIPUOC-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)c2cccc3c2n(c1=O)CCC3)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.101g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.345g/mol
Monoisotopic Mass:
365.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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