[8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-keto-8-methyl-3-(4-nitrophenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H12ClF3N2O9 MolecularWeight: 564.80829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H12ClF3N2O9/c1-11-18(38-23(32)12-2-8-16(25)17(10-12)30(35)36)9-7-15-19(31)21(22(24(26,27)28)39-20(11)15)37-14-5-3-13(4-6-14)29(33)34/h2-10H,1H3