(2S)-2-[(2-cyano-4-nitro-phenyl)amino]propanoate

Systemtic Name: (2S)-2-[(2-cyano-4-nitro-phenyl)amino]propanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-anilino)propanoate CAS Name: (2S)-2-(2-cyano-4-nitroanilino)propanoate IUPAC Name: (2S)-2-(2-cyano-4-nitroanilino)propanoate Traditional Name: (2S)-2-(2-cyano-4-nitro-anilino)propionate Formula: C10H8N3O4- MolecularWeight: 234.18822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@@H](C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H9N3O4/c1-6(10(14)15)12-9-3-2-8(13(16)17)4-7(9)5-11/h2-4,6,12H,1H3,(H,14,15)/p-1/t6-/m0/s1