1-adamantyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]ammonium Formula: C20H25F3N3O3+ MolecularWeight: 412.42601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24F3N3O3/c1-11(25-19-8-12-4-13(9-19)6-14(5-12)10-19)18(27)24-17-3-2-15(26(28)29)7-16(17)20(21,22)23/h2-3,7,11-14,25H,4-6,8-10H2,1H3,(H,24,27)/p+1/t11-,12?,13?,14?,19?/m1/s1