Name: Name:N-[2-Chloro-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-methyl-4-nitro-benzamide
Brand: Angene
SKU: AG01F4AY
Rating: 90 (10 reviews)

N-[2-Chloro-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-methyl-4-nitro-benzamide

CAS No.:

301354-47-2

Catalog Number:

AG01F4AY

Molecular Formula:

C22H16ClN3O4

Molecular Weight:

421.8331

Catalog Number:

AG01F4AY

Chemical Name:

N-[2-Chloro-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-methyl-4-nitro-benzamide

CAS Number:

301354-47-2

Molecular Formula:

C22H16ClN3O4

Molecular Weight:

421.8331

MDL Number:

MFCD00581890

IUPAC Name:

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide

InChI:

InChI=1S/C22H16ClN3O4/c1-12-3-8-20-18(9-12)25-22(30-20)15-4-6-16(23)17(11-15)24-21(27)14-5-7-19(26(28)29)13(2)10-14/h3-11H,1-2H3,(H,24,27)

InChI Key:

DSDTWQBYNHELSE-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])Cl

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

421.837g/mol

Monoisotopic Mass:

421.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4