(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C20H14FNO7 MolecularWeight: 399.326063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H14FNO7/c1-10-6-14(23)20-15(4-3-12(21)19(10)20)29-18(24)5-2-11-7-16-17(28-9-27-16)8-13(11)22(25)26/h2-5,7-8,10H,6,9H2,1H3/b5-2+