[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-3-methyl-1,2-dihydroinden-2-yl] 4-nitrobenzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-3-methyl-1,2-dihydroinden-2-yl] 4-nitrobenzoate Openeye Name: [1-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-indan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-3-methyl-1,2-dihydroinden-2-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-3-methyl-1,2-dihydroinden-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-indan-2-yl] ester Formula: C27H27NO8 MolecularWeight: 493.50518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=CC(=C(C=C21)OC)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1(C(CC2=CC(=C(C=C21)OC)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27NO8/c1-27(18-8-11-21(32-2)23(14-18)34-4)20-15-24(35-5)22(33-3)12-17(20)13-25(27)36-26(29)16-6-9-19(10-7-16)28(30)31/h6-12,14-15,25H,13H2,1-5H3