[3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate CAS Name: 2-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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H14F3NO6 MolecularWeight: 505.39837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H14F3NO6/c28-27(29,30)25-23(18-10-5-7-15-6-1-2-8-17(15)18)24(32)20-13-12-16(14-22(20)37-25)36-26(33)19-9-3-4-11-21(19)31(34)35/h1-14H