[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] (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-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] (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-keto-2-p-cumenyl-ethyl) ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-13(2)14-3-5-15(6-4-14)18(23)11-27-21(24)8-7-16-9-19-20(29-12-28-19)10-17(16)22(25)26/h3-10,13H,11-12H2,1-2H3/b8-7+