[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO6/c1-11-9-13(7-8-15(11)20(23)24)19(22)25-10-16(21)18-12(2)14-5-3-4-6-17(14)26-18/h3-9H,10H2,1-2H3