Analyte Name

[7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene]propanedioic Acid Dimethyl Ester

CAS Number

59468-39-2

Molecular Formula

C20H16ClFN2O4

Molecular Weight

402.8

Accurate Mass

402.08

SMILES

ClC1=CC(C(C2=CC=CC=C2F)=NC/3)=C(C=C1)NC3=C(C(OC)=O)/C(OC)=O

InChI

InChI=1S/C20H16ClFN2O4/c1-27-19(25)17(20(26)28-2)16-10-23-18(12-5-3-4-6-14(12)22)13-9-11(21)7-8-15(13)24-16/h3-9,24H,10H2,1-2H3

IUPAC

dimethyl 2-(7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-ylidene)malonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat