2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-phenyl-indane-1,3-dione CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-phenylindene-1,3-dione Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-phenyl-indane-1,3-quinone Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21NO6/c1-31-21-13-12-16(14-22(21)32-2)20(15-26(29)30)25(17-8-4-3-5-9-17)23(27)18-10-6-7-11-19(18)24(25)28/h3-14,20H,15H2,1-2H3