[(1S)-1-(1-benzofuran-2-yl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(1S)-1-(1-benzofuran-2-yl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-(benzofuran-2-yl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(1S)-1-(2-benzofuranyl)ethyl] ester IUPAC Name: [(1S)-1-(1-benzofuran-2-yl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-1-(benzofuran-2-yl)ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-13(18-12-15-4-2-3-5-17(15)28-18)27-19(23)10-11-21-20(24)14-6-8-16(9-7-14)22(25)26/h2-9,12-13H,10-11H2,1H3,(H,21,24)/t13-/m0/s1