ethyl 4-nitro-3-[3-(4-phenylmethoxyphenyl)propanoylamino]benzoate

Systemtic Name: ethyl 4-nitro-3-[3-(4-phenylmethoxyphenyl)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(4-benzyloxyphenyl)propanoylamino]-4-nitro-benzoate CAS Name: 4-nitro-3-[[1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-nitro-3-[3-(4-phenylmethoxyphenyl)propanoylamino]benzoate Traditional Name: 3-[3-(4-benzoxyphenyl)propanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6/c1-2-32-25(29)20-11-14-23(27(30)31)22(16-20)26-24(28)15-10-18-8-12-21(13-9-18)33-17-19-6-4-3-5-7-19/h3-9,11-14,16H,2,10,15,17H2,1H3,(H,26,28)