2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(3,4-dimethoxyphenyl)indene-1,3-dione

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(3,4-dimethoxyphenyl)indene-1,3-dione Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(3,4-dimethoxyphenyl)indane-1,3-dione CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)indene-1,3-dione IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)indene-1,3-dione Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(3,4-dimethoxyphenyl)indane-1,3-quinone Formula: C26H21NO8 MolecularWeight: 475.44684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H21NO8/c1-32-20-10-8-16(12-22(20)33-2)26(24(28)17-5-3-4-6-18(17)25(26)29)19(13-27(30)31)15-7-9-21-23(11-15)35-14-34-21/h3-12,19H,13-14H2,1-2H3