6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one CAS Name: 6-nitro-3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]coumarin Formula: C21H16F3N3O5 MolecularWeight: 447.36405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H16F3N3O5/c22-21(23,24)14-2-1-3-15(12-14)25-6-8-26(9-7-25)19(28)17-11-13-10-16(27(30)31)4-5-18(13)32-20(17)29/h1-5,10-12H,6-9H2