[3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H13ClF3NO6 MolecularWeight: 539.84343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C27H13ClF3NO6/c28-21-11-8-15(32(35)36)12-20(21)26(34)37-16-9-10-19-22(13-16)38-25(27(29,30)31)23(24(19)33)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H