[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO7/c1-12-7-8-13(9-16(12)21(24)25)17(22)11-27-20(23)19-15(10-26-2)14-5-3-4-6-18(14)28-19/h3-9H,10-11H2,1-2H3