[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7/c1-11(2)12-3-5-13(6-4-12)16(21)9-25-19(22)14-7-17-18(27-10-26-17)8-15(14)20(23)24/h3-8,11H,9-10H2,1-2H3