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Home > Nitro Compounds > 334497-35-7
334497-35-7 | 2-Cyano-3-{3-methoxy-4-[(2-methyl-5-nitro-phenylcarbamoyl)-methoxy]-phenyl}-acrylic acid ethyl ester
CAS No: 334497-35-7 Catalog No: AG01EVFK MDL No:
Product Description
Catalog Number:
AG01EVFK
Chemical Name:
2-Cyano-3-{3-methoxy-4-[(2-methyl-5-nitro-phenylcarbamoyl)-methoxy]-phenyl}-acrylic acid ethyl ester
CAS Number:
334497-35-7
Molecular Formula:
C22H21N3O7
Molecular Weight:
439.4180
IUPAC Name:
ethyl 2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
InChI:
InChI=1S/C22H21N3O7/c1-4-31-22(27)16(12-23)9-15-6-8-19(20(10-15)30-3)32-13-21(26)24-18-11-17(25(28)29)7-5-14(18)2/h5-11H,4,13H2,1-3H3,(H,24,26)
InChI Key:
KRAHUGGLXFCCBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\c1ccc(c(c1)OC)OCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])/C#N
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.138g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.424g/mol
Monoisotopic Mass:
439.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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