[3-methyl-4-(4-nitrophenyl)carbonyloxy-3-oxidanyl-butyl] 4-nitrobenzoate

Systemtic Name: [3-methyl-4-(4-nitrophenyl)carbonyloxy-3-oxidanyl-butyl] 4-nitrobenzoate Openeye Name: [3-hydroxy-3-methyl-4-(4-nitrobenzoyl)oxy-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-hydroxy-3-methyl-4-[(4-nitrophenyl)-oxomethoxy]butyl] ester IUPAC Name: [3-hydroxy-3-methyl-4-(4-nitrobenzoyl)oxybutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-hydroxy-3-methyl-4-(4-nitrobenzoyl)oxy-butyl] ester Formula: C19H18N2O9 MolecularWeight: 418.35422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O9/c1-19(24,12-30-18(23)14-4-8-16(9-5-14)21(27)28)10-11-29-17(22)13-2-6-15(7-3-13)20(25)26/h2-9,24H,10-12H2,1H3