ethyl (2R)-2-cyano-3-[(3S)-2-oxidanylideneazepan-3-yl]imino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[(3S)-2-oxidanylideneazepan-3-yl]imino-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[(3S)-2-oxoazepan-3-yl]imino-propanoate CAS Name: (2R)-2-cyano-3-[[(3S)-2-oxo-3-azepanyl]imino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[(3S)-2-oxoazepan-3-yl]iminopropanoate Traditional Name: (2R)-2-cyano-3-[(3S)-2-ketoazepan-3-yl]imino-propionic acid ethyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC1CCCCNC1=O)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=N[C@H]1CCCCNC1=O)C#N

InChI

InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8-10H,2-6H2,1H3,(H,14,16)/t9-,10-/m0/s1