(phenylmethyl) 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitro-benzoate

Systemtic Name: (phenylmethyl) 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitro-benzoate Openeye Name: benzyl 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitro-benzoate CAS Name: 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitrobenzoate Traditional Name: 6-(2-hydroxyethyl)-3,4-dimethoxy-2-nitro-benzoic acid benzyl ester Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CCO)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CCO)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19NO7/c1-24-14-10-13(8-9-20)15(16(19(22)23)17(14)25-2)18(21)26-11-12-6-4-3-5-7-12/h3-7,10,20H,8-9,11H2,1-2H3