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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitro-ethyl]indene-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitro-ethyl]indane-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitroethyl]indene-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitroethyl]indene-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitro-ethyl]indane-1,3-quinone Formula: C26H23NO7 MolecularWeight: 461.46332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO7/c1-32-18-11-8-16(9-12-18)21(15-27(30)31)26(17-10-13-22(33-2)23(14-17)34-3)24(28)19-6-4-5-7-20(19)25(26)29/h4-14,21H,15H2,1-3H3