2-[[2-(4-acetamidophenyl)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-acetamidophenyl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-acetamidophenyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H16N3O5- MolecularWeight: 342.32604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N3O5/c1-11(21)19-14-4-2-12(3-5-14)8-17(23)18-10-13-9-15(20(24)25)6-7-16(13)22/h2-7,9,22H,8,10H2,1H3,(H,18,23)(H,19,21)/p-1