methyl 2-[({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)amino]-3-nitrobenzoate

CAS: 139481-28-0

Formula: C22H17N3O4

SMILES: COC(=O)C1=C(NCC2=CC=C(C=C2)C2=C(C=CC=C2)C#N)C(=CC=C1)[N+]([O-])=O

IUPAC: methyl 2-[({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)amino]-3-nitrobenzoate

InChI: InChI=1S/C22H17N3O4/c1-29-22(26)19-7-4-8-20(25(27)28)21(19)24-14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-23/h2-12,24H,14H2,1H3

Composition: C (68.21%), H (4.42%), N (10.85%), O (16.52%)

Molar Mass: 387.395

Atom Count: 46

Heavy Atom Count: 29