(3,6-dimethyl-7-nitro-1-oxidanylidene-isochromen-8-yl) ethanoate

Systemtic Name: (3,6-dimethyl-7-nitro-1-oxidanylidene-isochromen-8-yl) ethanoate Openeye Name: (3,6-dimethyl-7-nitro-1-oxo-isochromen-8-yl) acetate CAS Name: acetic acid (3,6-dimethyl-7-nitro-1-oxo-2-benzopyran-8-yl) ester IUPAC Name: (3,6-dimethyl-7-nitro-1-oxoisochromen-8-yl) acetate Traditional Name: acetic acid (1-keto-3,6-dimethyl-7-nitro-isochromen-8-yl) ester Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C(=C2C(=O)O1)OC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=CC(=C(C(=C2C(=O)O1)OC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H11NO6/c1-6-4-9-5-7(2)19-13(16)10(9)12(20-8(3)15)11(6)14(17)18/h4-5H,1-3H3