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100757-06-0 | Benzoic acid, 3,5-dinitro-, 2-[1-[(diethylamino)methyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide
CAS No: 100757-06-0 Catalog No: AG0002TY MDL No:
Product Description
Catalog Number:
AG0002TY
Chemical Name:
Benzoic acid, 3,5-dinitro-, 2-[1-[(diethylamino)methyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide
CAS Number:
100757-06-0
Molecular Formula:
C20H20N6O6
Molecular Weight:
440.4094
IUPAC Name:
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-3,5-dinitrobenzamide
InChI:
InChI=1S/C20H20N6O6/c1-3-23(4-2)12-24-17-8-6-5-7-16(17)18(20(24)28)21-22-19(27)13-9-14(25(29)30)11-15(10-13)26(31)32/h5-11,28H,3-4,12H2,1-2H3
InChI Key:
WFMWRCSULRKJIF-UHFFFAOYSA-N
SMILES:
CCN(CN1C(=O)C(=NNC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])c2c1cccc2)CC
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.144g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.416g/mol
Monoisotopic Mass:
440.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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