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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (5-methyl-2-phenyl-oxazol-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 (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-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 (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O7/c1-13-16(22-21(30-13)14-5-3-2-4-6-14)11-27-20(24)8-7-15-9-18-19(29-12-28-18)10-17(15)23(25)26/h2-10H,11-12H2,1H3/b8-7+