[4-[2-[4-(4-methyl-3-nitro-phenyl)carbonyloxyphenyl]propan-2-yl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[2-[4-(4-methyl-3-nitro-phenyl)carbonyloxyphenyl]propan-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[1-methyl-1-[4-(4-methyl-3-nitro-benzoyl)oxyphenyl]ethyl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[2-[4-[(4-methyl-3-nitrophenyl)-oxomethoxy]phenyl]propan-2-yl]phenyl] ester IUPAC Name: [4-[2-[4-(4-methyl-3-nitrobenzoyl)oxyphenyl]propan-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[1-methyl-1-[4-(4-methyl-3-nitro-benzoyl)oxyphenyl]ethyl]phenyl] ester Formula: C31H26N2O8 MolecularWeight: 554.54674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H26N2O8/c1-19-5-7-21(17-27(19)32(36)37)29(34)40-25-13-9-23(10-14-25)31(3,4)24-11-15-26(16-12-24)41-30(35)22-8-6-20(2)28(18-22)33(38)39/h5-18H,1-4H3