[6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl 4-nitrobenzoate Openeye Name: [6-(benzyloxymethyl)-1,4-dioxan-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl ester IUPAC Name: [6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-(benzoxymethyl)-1,4-dioxan-2-yl]methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])COCC3=CC=CC=C3

Isomeric SMILES

C1C(OC(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])COCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO7/c22-20(16-6-8-17(9-7-16)21(23)24)27-14-19-13-26-12-18(28-19)11-25-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2