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

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

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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=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

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