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

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methyl-3-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(2-methyl-3-nitro-phenyl)oxazol-5-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methyl-3-nitrophenyl)-5-oxazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one Traditional Name: (4E)-2-(2-methyl-3-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[N+](=O)[O-])C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2

Isomeric SMILES

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

InChI

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