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

Systemtic Name: 8-methoxy-6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 8-methoxy-6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one CAS Name: 8-methoxy-6-nitro-3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 8-methoxy-6-nitro-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]coumarin Formula: C22H18F3N3O6 MolecularWeight: 477.39003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O6/c1-33-18-12-16(28(31)32)9-13-10-17(21(30)34-19(13)18)20(29)27-7-5-26(6-8-27)15-4-2-3-14(11-15)22(23,24)25/h2-4,9-12H,5-8H2,1H3