methyl 7-(4-methoxycarbonyl-2-nitro-phenoxy)-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 7-(4-methoxycarbonyl-2-nitro-phenoxy)-2,2-diphenyl-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 7-(4-methoxycarbonyl-2-nitro-phenoxy)-2,2-diphenyl-1,3-benzodioxole-5-carboxylate CAS Name: 7-(4-methoxycarbonyl-2-nitrophenoxy)-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-methoxycarbonyl-2-nitrophenoxy)-2,2-diphenyl-1,3-benzodioxole-5-carboxylate Traditional Name: 7-(4-carbomethoxy-2-nitro-phenoxy)-2,2-diphenyl-piperonylic acid methyl ester Formula: C29H21NO9 MolecularWeight: 527.47834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC3=C2OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC3=C2OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H21NO9/c1-35-27(31)18-13-14-23(22(15-18)30(33)34)37-24-16-19(28(32)36-2)17-25-26(24)39-29(38-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3