3-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: 3-(2-benzoyl-4-nitro-anilino)propanoic acid CAS Name: 3-(2-benzoyl-4-nitroanilino)propanoic acid IUPAC Name: 3-(2-benzoyl-4-nitroanilino)propanoic acid Traditional Name: 3-(2-benzoyl-4-nitro-anilino)propionic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c19-15(20)8-9-17-14-7-6-12(18(22)23)10-13(14)16(21)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,19,20)