[(2S)-2-acetamido-3-[(3-nitrophenyl)methylamino]-3-oxidanylidene-propyl] ethanoate

Systemtic Name: [(2S)-2-acetamido-3-[(3-nitrophenyl)methylamino]-3-oxidanylidene-propyl] ethanoate Openeye Name: [(2S)-2-acetamido-3-[(3-nitrophenyl)methylamino]-3-oxo-propyl] acetate CAS Name: acetic acid [(2S)-2-acetamido-3-[(3-nitrophenyl)methylamino]-3-oxopropyl] ester IUPAC Name: [(2S)-2-acetamido-3-[(3-nitrophenyl)methylamino]-3-oxopropyl] acetate Traditional Name: acetic acid [(2S)-2-acetamido-3-keto-3-[(3-nitrobenzyl)amino]propyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-9(18)16-13(8-23-10(2)19)14(20)15-7-11-4-3-5-12(6-11)17(21)22/h3-6,13H,7-8H2,1-2H3,(H,15,20)(H,16,18)/t13-/m0/s1