2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-phenyl-indane-1,3-dione CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenylindene-1,3-dione Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-phenyl-indane-1,3-quinone Formula: C24H17NO6 MolecularWeight: 415.39488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C24H17NO6/c26-22-17-8-4-5-9-18(17)23(27)24(22,16-6-2-1-3-7-16)19(13-25(28)29)15-10-11-20-21(12-15)31-14-30-20/h1-12,19H,13-14H2