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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO7/c1-10-2-3-11(6-13(10)18(21)22)14(19)8-23-17(20)12-4-5-15-16(7-12)25-9-24-15/h2-7H,8-9H2,1H3