Name: Name:Ethyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
Brand: Angene
SKU: AG007MO6
Rating: 90 (10 reviews)

Ethyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

CAS No.:

136285-67-1

Catalog Number:

AG007MO6

Molecular Formula:

C23H19N3O4

Molecular Weight:

401.4147

Catalog Number:

AG007MO6

Chemical Name:

Ethyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

CAS Number:

136285-67-1

Molecular Formula:

C23H19N3O4

Molecular Weight:

401.4147

MDL Number:

MFCD09030634

IUPAC Name:

ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate

InChI:

InChI=1S/C23H19N3O4/c1-2-30-23(27)20-8-5-9-21(26(28)29)22(20)25-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,25H,2,15H2,1H3

InChI Key:

CHPMKOFPDCKNBG-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cccc(c1NCc1ccc(cc1)c1ccccc1C#N)[N+](=O)[O-]

EC Number:

603-952-0

Complexity:

632

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

401.138g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

401.422g/mol

Monoisotopic Mass:

401.138g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3