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

Systemtic Name: methyl 4-(1,3-dioxan-2-ylmethyl)-3-nitro-benzoate Openeye Name: methyl 4-(1,3-dioxan-2-ylmethyl)-3-nitro-benzoate CAS Name: 4-(1,3-dioxan-2-ylmethyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxan-2-ylmethyl)-3-nitrobenzoate Traditional Name: 4-(1,3-dioxan-2-ylmethyl)-3-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)CC2OCCCO2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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