[(2S)-2-(2-oxidanylidenepropanoylamino)-3-phenyl-propyl] nitrate

Systemtic Name: [(2S)-2-(2-oxidanylidenepropanoylamino)-3-phenyl-propyl] nitrate Openeye Name: [(2S)-2-(2-oxopropanoylamino)-3-phenyl-propyl] nitrate CAS Name: nitric acid [(2S)-2-(1,2-dioxopropylamino)-3-phenylpropyl] ester IUPAC Name: [(2S)-2-(2-oxopropanoylamino)-3-phenylpropyl] nitrate Traditional Name: nitric acid [(2S)-3-phenyl-2-pyruvamido-propyl] ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)NC(CC1=CC=CC=C1)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(=O)N[C@@H](CC1=CC=CC=C1)CO[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-9(15)12(16)13-11(8-19-14(17)18)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,16)/t11-/m0/s1