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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (5-methylisoxazol-3-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 (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-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 (5-methylisoxazol-3-yl)methyl ester Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O7/c1-9-4-11(16-24-9)7-21-15(18)3-2-10-5-13-14(23-8-22-13)6-12(10)17(19)20/h2-6H,7-8H2,1H3/b3-2+