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

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-nitro-coumarin Formula: C20H16FN3O5 MolecularWeight: 397.356543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O5/c21-14-1-3-15(4-2-14)22-7-9-23(10-8-22)19(25)17-12-13-11-16(24(27)28)5-6-18(13)29-20(17)26/h1-6,11-12H,7-10H2