[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyacetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-13-7-8-14(9-16(13)22(25)26)17(23)11-28-19(24)12-27-18-6-4-5-15-10-21(2,3)29-20(15)18/h4-9H,10-12H2,1-3H3