2-[[2-nitro-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]amino]ethylazanium

Systemtic Name: 2-[[2-nitro-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]amino]ethylazanium Openeye Name: 2-[2-nitro-4-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethylammonium CAS Name: 2-[2-nitro-4-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]ethylammonium IUPAC Name: 2-[2-nitro-4-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethylazanium Traditional Name: 2-[2-nitro-4-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethylammonium Formula: C16H16F3N4O3+ MolecularWeight: 369.31845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCC[NH3+])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCC[NH3+])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H15F3N4O3/c17-16(18,19)11-2-1-3-12(9-11)22-15(24)10-4-5-13(21-7-6-20)14(8-10)23(25)26/h1-5,8-9,21H,6-7,20H2,(H,22,24)/p+1