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Home > Nitro Compounds > 88758-25-2
88758-25-2 | Ethanimidamide, N-[(4-nitrobenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-25-2 Catalog No: AG004BYP MDL No:
Product Description
Catalog Number:
AG004BYP
Chemical Name:
Ethanimidamide, N-[(4-nitrobenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-25-2
Molecular Formula:
C18H14N4O5
Molecular Weight:
366.3276
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-nitrobenzoate
InChI:
InChI=1S/C18H14N4O5/c19-16(11-26-15-5-1-3-12-4-2-10-20-17(12)15)21-27-18(23)13-6-8-14(9-7-13)22(24)25/h1-10H,11H2,(H2,19,21)
InChI Key:
QWYIBMNVOOXCMC-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.333g/mol
Monoisotopic Mass:
366.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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