Catalog Number:
AG01EIQT
Chemical Name:
acetic acid, tert-butyl N-{carbamimidoyl[4-(trifluoromethyl)phenyl]methyl}carbamate
CAS Number:
2138514-29-9
Molecular Formula:
C16H22F3N3O4
Molecular Weight:
377.3588
MDL Number:
MFCD12760494
IUPAC Name:
acetic acid;tert-butyl N-[2-amino-2-imino-1-[4-(trifluoromethyl)phenyl]ethyl]carbamate
InChI:
InChI=1S/C14H18F3N3O2.C2H4O2/c1-13(2,3)22-12(21)20-10(11(18)19)8-4-6-9(7-5-8)14(15,16)17;1-2(3)4/h4-7,10H,1-3H3,(H3,18,19)(H,20,21);1H3,(H,3,4)
InChI Key:
SDBUDIVPDGFORC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccc(cc1)C(F)(F)F)C(=N)N.CC(=O)O
