methyl 3-(4-methoxy-3-phenylmethoxy-phenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(4-methoxy-3-phenylmethoxy-phenyl)-4-nitro-butanoate Openeye Name: methyl 3-(3-benzyloxy-4-methoxy-phenyl)-4-nitro-butanoate CAS Name: 3-(4-methoxy-3-phenylmethoxyphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(4-methoxy-3-phenylmethoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(3-benzoxy-4-methoxy-phenyl)-4-nitro-butyric acid methyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-24-17-9-8-15(16(12-20(22)23)11-19(21)25-2)10-18(17)26-13-14-6-4-3-5-7-14/h3-10,16H,11-13H2,1-2H3