[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(4-nitrophenyl)carbonyloxy-ethyl] 4-nitrobenzoate

Systemtic Name: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(4-nitrophenyl)carbonyloxy-ethyl] 4-nitrobenzoate Openeye Name: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(4-nitrobenzoyl)oxy-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4-nitrophenyl)-oxomethoxy]ethyl] ester IUPAC Name: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(4-nitrobenzoyl)oxyethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(4-nitrobenzoyl)oxy-ethyl] ester Formula: C26H28N2O12 MolecularWeight: 560.50672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C(C2COC(O2)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)C(C(C2COC(O2)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H28N2O12/c1-25(2)35-13-19(39-25)21(37-23(29)15-5-9-17(10-6-15)27(31)32)22(20-14-36-26(3,4)40-20)38-24(30)16-7-11-18(12-8-16)28(33)34/h5-12,19-22H,13-14H2,1-4H3