3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitro-chromen-2-one

Systemtic Name: 3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitro-chromen-2-one Openeye Name: 3-[4-(4-isobutylphenyl)thiazol-2-yl]-8-nitro-chromen-2-one CAS Name: 3-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-8-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitrochromen-2-one Traditional Name: 3-[4-(4-isobutylphenyl)thiazol-2-yl]-8-nitro-coumarin Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C(=CC=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C(=CC=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H18N2O4S/c1-13(2)10-14-6-8-15(9-7-14)18-12-29-21(23-18)17-11-16-4-3-5-19(24(26)27)20(16)28-22(17)25/h3-9,11-13H,10H2,1-2H3