(3-ethanoyl-2-methyl-1-benzofuran-5-yl) 4-nitrobenzoate

Systemtic Name: (3-ethanoyl-2-methyl-1-benzofuran-5-yl) 4-nitrobenzoate Openeye Name: (3-acetyl-2-methyl-benzofuran-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-acetyl-2-methyl-5-benzofuranyl) ester IUPAC Name: (3-acetyl-2-methyl-1-benzofuran-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-acetyl-2-methyl-benzofuran-5-yl) ester Formula: C18H13NO6 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H13NO6/c1-10(20)17-11(2)24-16-8-7-14(9-15(16)17)25-18(21)12-3-5-13(6-4-12)19(22)23/h3-9H,1-2H3