[4,4-dimethoxy-2-[(4-nitrophenyl)carbonyloxymethyl]butyl] 4-nitrobenzoate

Systemtic Name: [4,4-dimethoxy-2-[(4-nitrophenyl)carbonyloxymethyl]butyl] 4-nitrobenzoate Openeye Name: [4,4-dimethoxy-2-[(4-nitrobenzoyl)oxymethyl]butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4,4-dimethoxy-2-[[(4-nitrophenyl)-oxomethoxy]methyl]butyl] ester IUPAC Name: [4,4-dimethoxy-2-[(4-nitrobenzoyl)oxymethyl]butyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4,4-dimethoxy-2-[(4-nitrobenzoyl)oxymethyl]butyl] ester Formula: C21H22N2O10 MolecularWeight: 462.40678

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC(CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O10/c1-30-19(31-2)11-14(12-32-20(24)15-3-7-17(8-4-15)22(26)27)13-33-21(25)16-5-9-18(10-6-16)23(28)29/h3-10,14,19H,11-13H2,1-2H3