2-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3R)-3-acetamido-1-oxo-3-phenylpropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(3R)-3-acetamido-3-phenylpropanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]-4-nitro-phenolate Formula: C18H18N3O5- MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H19N3O5/c1-12(22)20-16(13-5-3-2-4-6-13)10-18(24)19-11-14-9-15(21(25)26)7-8-17(14)23/h2-9,16,23H,10-11H2,1H3,(H,19,24)(H,20,22)/p-1/t16-/m1/s1