methyl 3,5-dimethoxy-2-nitro-4-phenylmethoxy-benzoate

Systemtic Name: methyl 3,5-dimethoxy-2-nitro-4-phenylmethoxy-benzoate Openeye Name: methyl 4-benzyloxy-3,5-dimethoxy-2-nitro-benzoate CAS Name: 3,5-dimethoxy-2-nitro-4-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-2-nitro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3,5-dimethoxy-2-nitro-benzoic acid methyl ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO7/c1-22-13-9-12(17(19)24-3)14(18(20)21)16(23-2)15(13)25-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3