ethyl 2-[2-(hydroxymethyl)-4-nitro-phenyl]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: ethyl 2-[2-(hydroxymethyl)-4-nitro-phenyl]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: ethyl 3-(4-benzyloxyphenyl)-2-[2-(hydroxymethyl)-4-nitro-phenyl]propanoate CAS Name: 2-[2-(hydroxymethyl)-4-nitrophenyl]-3-(4-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(hydroxymethyl)-4-nitrophenyl]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: 3-(4-benzoxyphenyl)-2-(2-methylol-4-nitro-phenyl)propionic acid ethyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])CO

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C25H25NO6/c1-2-31-25(28)24(23-13-10-21(26(29)30)15-20(23)16-27)14-18-8-11-22(12-9-18)32-17-19-6-4-3-5-7-19/h3-13,15,24,27H,2,14,16-17H2,1H3