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88758-65-0 | Ethanimidamide, N-[[(4-nitrophenoxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-65-0 Catalog No: AG004C2B MDL No:
Product Description
Catalog Number:
AG004C2B
Chemical Name:
Ethanimidamide, N-[[(4-nitrophenoxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-65-0
Molecular Formula:
C18H14N4O6
Molecular Weight:
382.3270
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] (4-nitrophenyl) carbonate
InChI:
InChI=1S/C18H14N4O6/c19-16(11-26-15-5-1-3-12-4-2-10-20-17(12)15)21-28-18(23)27-14-8-6-13(7-9-14)22(24)25/h1-10H,11H2,(H2,19,21)
InChI Key:
VJKSNEIUIABSAE-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.332g/mol
Monoisotopic Mass:
382.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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