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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C

InChI

InChI=1S/C19H17NO7/c1-10-4-12(3)13(5-11(10)2)16(21)8-25-19(22)14-6-17-18(27-9-26-17)7-15(14)20(23)24/h4-7H,8-9H2,1-3H3