(3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H14N2O7/c1-9-12(10(2)25-17-9)7-22-16(19)4-3-11-5-14-15(24-8-23-14)6-13(11)18(20)21/h3-6H,7-8H2,1-2H3/b4-3+