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

Systemtic Name: (2,6-dimethylphenyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2,6-dimethylphenyl) (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 (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (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 (2,6-dimethylphenyl) ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H15NO6/c1-11-4-3-5-12(2)18(11)25-17(20)7-6-13-8-15-16(24-10-23-15)9-14(13)19(21)22/h3-9H,10H2,1-2H3/b7-6+