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

Systemtic Name: (4-ethylphenyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-ethylphenyl) (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 (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) (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 (4-ethylphenyl) ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H15NO6/c1-2-12-3-6-14(7-4-12)25-18(20)8-5-13-9-16-17(24-11-23-16)10-15(13)19(21)22/h3-10H,2,11H2,1H3/b8-5+