[1-[2-[1-(3-nitrophenyl)carbonyloxycyclohexyl]ethynyl]cyclohexyl] 3-nitrobenzoate

Systemtic Name: [1-[2-[1-(3-nitrophenyl)carbonyloxycyclohexyl]ethynyl]cyclohexyl] 3-nitrobenzoate Openeye Name: [1-[2-[1-(3-nitrobenzoyl)oxycyclohexyl]ethynyl]cyclohexyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[2-[1-[(3-nitrophenyl)-oxomethoxy]cyclohexyl]ethynyl]cyclohexyl] ester IUPAC Name: [1-[2-[1-(3-nitrobenzoyl)oxycyclohexyl]ethynyl]cyclohexyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[2-[1-(3-nitrobenzoyl)oxycyclohexyl]ethynyl]cyclohexyl] ester Formula: C28H28N2O8 MolecularWeight: 520.53052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2(CCCCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C#CC2(CCCCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N2O8/c31-25(21-9-7-11-23(19-21)29(33)34)37-27(13-3-1-4-14-27)17-18-28(15-5-2-6-16-28)38-26(32)22-10-8-12-24(20-22)30(35)36/h7-12,19-20H,1-6,13-16H2