[3,5-dimethyl-3-(6-nitro-1-benzofuran-2-yl)-6-oxidanylidene-2H-pyran-4-yl] ethanoate

Systemtic Name: [3,5-dimethyl-3-(6-nitro-1-benzofuran-2-yl)-6-oxidanylidene-2H-pyran-4-yl] ethanoate Openeye Name: [3,5-dimethyl-3-(6-nitrobenzofuran-2-yl)-6-oxo-2H-pyran-4-yl] acetate CAS Name: acetic acid [3,5-dimethyl-3-(6-nitro-2-benzofuranyl)-6-oxo-2H-pyran-4-yl] ester IUPAC Name: [3,5-dimethyl-3-(6-nitro-1-benzofuran-2-yl)-6-oxo-2H-pyran-4-yl] acetate Traditional Name: acetic acid [6-keto-3,5-dimethyl-3-(6-nitrobenzofuran-2-yl)-2H-pyran-4-yl] ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(COC1=O)(C)C2=CC3=C(O2)C=C(C=C3)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC1=C(C(COC1=O)(C)C2=CC3=C(O2)C=C(C=C3)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C17H15NO7/c1-9-15(24-10(2)19)17(3,8-23-16(9)20)14-6-11-4-5-12(18(21)22)7-13(11)25-14/h4-7H,8H2,1-3H3