2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 2-(N-benzyloxycarbonyl-4-nitro-anilino)propanoic acid CAS Name: 2-(4-nitro-N-phenylmethoxycarbonylanilino)propanoic acid IUPAC Name: 2-(4-nitro-N-phenylmethoxycarbonylanilino)propanoic acid Traditional Name: 2-(N-carbobenzoxy-4-nitro-anilino)propionic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O6/c1-12(16(20)21)18(14-7-9-15(10-8-14)19(23)24)17(22)25-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)