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

Systemtic Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]coumarin Formula: C27H20F3N3O5 MolecularWeight: 523.46001

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H20F3N3O5/c28-27(29,30)20-8-9-22(23(16-20)33(36)37)31-10-12-32(13-11-31)25(34)19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)38-26(21)35/h1-9,14-16H,10-13H2