methyl 3-(1,3-dioxan-2-ylmethyl)-4-nitro-benzoate

Systemtic Name: methyl 3-(1,3-dioxan-2-ylmethyl)-4-nitro-benzoate Openeye Name: methyl 3-(1,3-dioxan-2-ylmethyl)-4-nitro-benzoate CAS Name: 3-(1,3-dioxan-2-ylmethyl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dioxan-2-ylmethyl)-4-nitrobenzoate Traditional Name: 3-(1,3-dioxan-2-ylmethyl)-4-nitro-benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-18-13(15)9-3-4-11(14(16)17)10(7-9)8-12-19-5-2-6-20-12/h3-4,7,12H,2,5-6,8H2,1H3