ethyl 4-nitro-3-(3-phenylpropanoylamino)benzoate

Systemtic Name: ethyl 4-nitro-3-(3-phenylpropanoylamino)benzoate Openeye Name: ethyl 4-nitro-3-(3-phenylpropanoylamino)benzoate CAS Name: 4-nitro-3-[(1-oxo-3-phenylpropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-nitro-3-(3-phenylpropanoylamino)benzoate Traditional Name: 3-(hydrocinnamoylamino)-4-nitro-benzoic acid ethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-2-25-18(22)14-9-10-16(20(23)24)15(12-14)19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,21)