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Home > Nitro Compounds > 126244-91-5
126244-91-5 | N-[1-(4-Nitro-benzylidene-hydrazinocarbonyl)-2-(4-nitro-phenyl)-vinyl]-benzamide
CAS No: 126244-91-5 Catalog No: AG01F3T7 MDL No:
Product Description
Catalog Number:
AG01F3T7
Chemical Name:
N-[1-(4-Nitro-benzylidene-hydrazinocarbonyl)-2-(4-nitro-phenyl)-vinyl]-benzamide
CAS Number:
126244-91-5
Molecular Formula:
C23H17N5O6
Molecular Weight:
459.4110
IUPAC Name:
N-[(Z)-1-(4-nitrophenyl)-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C23H17N5O6/c29-22(18-4-2-1-3-5-18)25-21(14-16-6-10-19(11-7-16)27(31)32)23(30)26-24-15-17-8-12-20(13-9-17)28(33)34/h1-15H,(H,25,29)(H,26,30)/b21-14-,24-15+
InChI Key:
RPSBEWHXMXSCHJ-GYTCFKOFSA-N
SMILES:
O=C(/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1)N/N=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
459.118g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.418g/mol
Monoisotopic Mass:
459.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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