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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO8/c1-10(17(20)11-3-5-12(24-2)6-4-11)27-18(21)13-7-15-16(26-9-25-15)8-14(13)19(22)23/h3-8,10H,9H2,1-2H3