(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H14N2O7/c1-11-14(20-18(28-11)12-5-3-2-4-6-12)9-25-19(22)13-7-16-17(27-10-26-16)8-15(13)21(23)24/h2-8H,9-10H2,1H3