(4E)-3-(4-methyl-3-nitro-phenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,2-oxazol-5-one

Systemtic Name: (4E)-3-(4-methyl-3-nitro-phenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,2-oxazol-5-one Openeye Name: (4E)-3-(4-methyl-3-nitro-phenyl)-4-[(3-methyl-2-thienyl)methylene]isoxazol-5-one CAS Name: (4E)-3-(4-methyl-3-nitrophenyl)-4-[(3-methyl-2-thiophenyl)methylidene]-5-isoxazolone IUPAC Name: (4E)-3-(4-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,2-oxazol-5-one Traditional Name: (4E)-3-(4-methyl-3-nitro-phenyl)-4-[(3-methyl-2-thienyl)methylene]-2-isoxazolin-5-one Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=O)C2=CC3=C(C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C\2=NOC(=O)/C2=C/C3=C(C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-9-3-4-11(7-13(9)18(20)21)15-12(16(19)22-17-15)8-14-10(2)5-6-23-14/h3-8H,1-2H3/b12-8+