4-[[2-(4-nitrophenyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-nitrophenyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(4-nitrophenyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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