ethyl (2S)-2-(2-nitroethanoylamino)-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-(2-nitroethanoylamino)-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(2-nitroacetyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-nitro-1-oxoethyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-nitroacetyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-nitroacetyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-2-20-13(17)11(14-12(16)9-15(18)19)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)/t11-/m0/s1