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

Systemtic Name: 3-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[4-[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=C(C=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=C(C=C3)C4=CC5=CC=CC=C5OC4=O

InChI

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