[(2S)-2-(2-oxidanylidenepropanoylamino)-2-phenyl-ethyl] nitrate

Systemtic Name: [(2S)-2-(2-oxidanylidenepropanoylamino)-2-phenyl-ethyl] nitrate Openeye Name: [(2S)-2-(2-oxopropanoylamino)-2-phenyl-ethyl] nitrate CAS Name: nitric acid [(2S)-2-(1,2-dioxopropylamino)-2-phenylethyl] ester IUPAC Name: [(2S)-2-(2-oxopropanoylamino)-2-phenylethyl] nitrate Traditional Name: nitric acid [(2S)-2-phenyl-2-pyruvamido-ethyl] ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-8(14)11(15)12-10(7-18-13(16)17)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,15)/t10-/m1/s1