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

Systemtic Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-nitro-benzylidene)-2-oxazolin-5-one Formula: C18H12N2O6 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O6/c1-10-2-3-11(7-14(10)20(22)23)6-13-18(21)26-17(19-13)12-4-5-15-16(8-12)25-9-24-15/h2-8H,9H2,1H3/b13-6-