cyanomethyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: cyanomethyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid cyanomethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC#N)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c1-8(12(17)20-6-5-13)14-11(16)9-3-2-4-10(7-9)15(18)19/h2-4,7-8H,6H2,1H3,(H,14,16)/t8-/m0/s1