ethyl (2S)-2-nitro-3-oxidanylidene-3-phenylazanyl-propanoate

Systemtic Name: ethyl (2S)-2-nitro-3-oxidanylidene-3-phenylazanyl-propanoate Openeye Name: ethyl (2S)-3-anilino-2-nitro-3-oxo-propanoate CAS Name: (2S)-3-anilino-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-anilino-2-nitro-3-oxopropanoate Traditional Name: (2S)-3-anilino-3-keto-2-nitro-propionic acid ethyl ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-2-18-11(15)9(13(16)17)10(14)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,14)/t9-/m0/s1