[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6/c1-3-9-17-15(21)11(2)25-14(20)8-10-18-16(22)12-4-6-13(7-5-12)19(23)24/h3-7,11H,1,8-10H2,2H3,(H,17,21)(H,18,22)/t11-/m0/s1