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149850-30-6 | Glycine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-(2-methoxy-2-oxoethyl)-, methyl ester
CAS No: 149850-30-6 Catalog No: AG001M2I MDL No:
Product Description
Catalog Number:
AG001M2I
Chemical Name:
Glycine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-(2-methoxy-2-oxoethyl)-, methyl ester
CAS Number:
149850-30-6
Molecular Formula:
C21H20N6O7
Molecular Weight:
468.4195
IUPAC Name:
methyl 2-[3-acetamido-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxy-2-oxoethyl)anilino]acetate
InChI:
InChI=1S/C21H20N6O7/c1-13(28)23-19-9-15(26(11-20(29)33-2)12-21(30)34-3)4-7-18(19)25-24-17-6-5-16(27(31)32)8-14(17)10-22/h4-9H,11-12H2,1-3H3,(H,23,28)
InChI Key:
DSYAJHRMVXOBRK-UHFFFAOYSA-N
SMILES:
COC(=O)CN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC(=O)OC
EC Number:
413-040-2
Properties
Complexity:
817
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.139g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.426g/mol
Monoisotopic Mass:
468.139g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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