2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H11N3O5S MolecularWeight: 369.35134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S/c1-9-13(18-15(25-9)14-3-2-6-26-14)8-19-16(21)11-5-4-10(20(23)24)7-12(11)17(19)22/h2-7H,8H2,1H3