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

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-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-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H16F3NO6 MolecularWeight: 519.42495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H16F3NO6/c1-15-18(9-5-11-22(15)32(35)36)27(34)37-17-12-13-21-23(14-17)38-26(28(29,30)31)24(25(21)33)20-10-4-7-16-6-2-3-8-19(16)20/h2-14H,1H3