Catalog Number:
AG01EJPZ
Chemical Name:
methyl 3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxylate, trifluoroacetic acid
CAS Number:
2126160-02-7
Molecular Formula:
C14H15F3N2O5
Molecular Weight:
348.2745
MDL Number:
MFCD31381186
IUPAC Name:
methyl 3-amino-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxylate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H14N2O3.C2HF3O2/c1-17-12(16)8-3-5-10-7(6-8)2-4-9(13)11(15)14-10;3-2(4,5)1(6)7/h3,5-6,9H,2,4,13H2,1H3,(H,14,15);(H,6,7)
InChI Key:
VAAKSBFISXOHDA-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)c1ccc2c(c1)CCC(C(=O)N2)N
