3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-isoxazol-5-yl)ethyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-5-isoxazolyl)ethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-isoxazol-5-yl)ethyl]-7-hydroxy-4-methyl-coumarin Formula: C22H17ClN2O6 MolecularWeight: 440.83318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C(CC3=C(C(=NO3)C)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C(CC3=C(C(=NO3)C)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O6/c1-11-16-8-7-15(26)9-18(16)30-22(27)20(11)17(13-3-5-14(23)6-4-13)10-19-21(25(28)29)12(2)24-31-19/h3-9,17,26H,10H2,1-2H3