3-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-6-nitro-7-oxidanyl-chromen-2-one

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-6-nitro-7-oxidanyl-chromen-2-one Openeye Name: 3-[2-(2,4-dimethylphenyl)thiazol-4-yl]-7-hydroxy-6-nitro-chromen-2-one CAS Name: 3-[2-(2,4-dimethylphenyl)-4-thiazolyl]-7-hydroxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-7-hydroxy-6-nitrochromen-2-one Traditional Name: 3-[2-(2,4-dimethylphenyl)thiazol-4-yl]-7-hydroxy-6-nitro-coumarin Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CS2)C3=CC4=CC(=C(C=C4OC3=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CS2)C3=CC4=CC(=C(C=C4OC3=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C20H14N2O5S/c1-10-3-4-13(11(2)5-10)19-21-15(9-28-19)14-6-12-7-16(22(25)26)17(23)8-18(12)27-20(14)24/h3-9,23H,1-2H3