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

Systemtic Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-[(4-nitrophenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(2-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(2-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-(4-nitrobenzylidene)-2-oxazolin-5-one Formula: C17H11N3O6 MolecularWeight: 353.28574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=N/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O2

InChI

InChI=1S/C17H11N3O6/c1-10-13(3-2-4-15(10)20(24)25)16-18-14(17(21)26-16)9-11-5-7-12(8-6-11)19(22)23/h2-9H,1H3/b14-9+