methyl 3-(1,3-dioxan-2-ylmethyl)-2-nitro-benzoate

Systemtic Name: methyl 3-(1,3-dioxan-2-ylmethyl)-2-nitro-benzoate Openeye Name: methyl 3-(1,3-dioxan-2-ylmethyl)-2-nitro-benzoate CAS Name: 3-(1,3-dioxan-2-ylmethyl)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dioxan-2-ylmethyl)-2-nitrobenzoate Traditional Name: 3-(1,3-dioxan-2-ylmethyl)-2-nitro-benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CC2OCCCO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CC2OCCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6/c1-18-13(15)10-5-2-4-9(12(10)14(16)17)8-11-19-6-3-7-20-11/h2,4-5,11H,3,6-8H2,1H3