methyl 4-nitro-3-(4-phenylmethoxyphenyl)butanoate

Systemtic Name: methyl 4-nitro-3-(4-phenylmethoxyphenyl)butanoate Openeye Name: methyl 3-(4-benzyloxyphenyl)-4-nitro-butanoate CAS Name: 4-nitro-3-(4-phenylmethoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 4-nitro-3-(4-phenylmethoxyphenyl)butanoate Traditional Name: 3-(4-benzoxyphenyl)-4-nitro-butyric acid methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-23-18(20)11-16(12-19(21)22)15-7-9-17(10-8-15)24-13-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3