(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-methyl-4-nitro-phenyl)-1,3-oxazol-5-one

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-methyl-4-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3-methyl-4-nitro-phenyl)oxazol-5-one CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-methyl-4-nitrophenyl)-5-oxazolone IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-methyl-4-nitrophenyl)-1,3-oxazol-5-one Traditional Name: (4Z)-2-(3-methyl-4-nitro-phenyl)-4-piperonylidene-2-oxazolin-5-one Formula: C18H12N2O6 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=N/C(=C\C3=CC4=C(C=C3)OCO4)/C(=O)O2)[N+](=O)[O-]

InChI

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