dibenzofuran-2-yl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: dibenzofuran-2-yl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: dibenzofuran-2-yl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid dibenzofuran-2-yl ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c25-21(11-12-23-22(26)14-5-7-15(8-6-14)24(27)28)29-16-9-10-20-18(13-16)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,23,26)