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Home > Nitro Compounds > 334497-33-5
334497-33-5 | 2-Cyano-3-{3-methoxy-4-[(2-methyl-5-nitro-phenylcarbamoyl)-methoxy]-phenyl}-acrylamide
CAS No: 334497-33-5 Catalog No: AG01EVFJ MDL No:
Product Description
Catalog Number:
AG01EVFJ
Chemical Name:
2-Cyano-3-{3-methoxy-4-[(2-methyl-5-nitro-phenylcarbamoyl)-methoxy]-phenyl}-acrylamide
CAS Number:
334497-33-5
Molecular Formula:
C20H18N4O6
Molecular Weight:
410.3801
IUPAC Name:
2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enamide
InChI:
InChI=1S/C20H18N4O6/c1-12-3-5-15(24(27)28)9-16(12)23-19(25)11-30-17-6-4-13(8-18(17)29-2)7-14(10-21)20(22)26/h3-9H,11H2,1-2H3,(H2,22,26)(H,23,25)
InChI Key:
JNUIWQPRCAYJEW-UHFFFAOYSA-N
SMILES:
N#C/C(=C/c1ccc(c(c1)OC)OCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])/C(=O)N
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.123g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.386g/mol
Monoisotopic Mass:
410.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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