[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-acetamidobenzoate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-acetamidobenzoate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C25H17ClFNO5 MolecularWeight: 465.857583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H17ClFNO5/c1-13-22(23-19(26)7-4-8-20(23)27)24(30)18-10-9-17(12-21(18)32-13)33-25(31)15-5-3-6-16(11-15)28-14(2)29/h3-12H,1-2H3,(H,28,29)