2-[(4E,5Z)-4-[azanyl(cyano)methylidene]-5-ethoxycarbonylimino-imidazol-1-yl]ethyl propanoate

Systemtic Name: 2-[(4E,5Z)-4-[azanyl(cyano)methylidene]-5-ethoxycarbonylimino-imidazol-1-yl]ethyl propanoate Openeye Name: 2-[(4E,5Z)-4-[amino(cyano)methylene]-5-ethoxycarbonylimino-imidazol-1-yl]ethyl propanoate CAS Name: propanoic acid 2-[(4E,5Z)-4-[amino(cyano)methylidene]-5-ethoxycarbonylimino-1-imidazolyl]ethyl ester IUPAC Name: 2-[(4E,5Z)-4-[amino(cyano)methylidene]-5-ethoxycarbonyliminoimidazol-1-yl]ethyl propanoate Traditional Name: propionic acid 2-[(4E,5Z)-4-[amino(cyano)methylene]-5-carbethoxyimino-2-imidazolin-1-yl]ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C=NC(=C(C#N)N)C1=NC(=O)OCC

Isomeric SMILES

CCC(=O)OCCN\1C=N/C(=C(\C#N)/N)/C1=N/C(=O)OCC

InChI

InChI=1S/C13H17N5O4/c1-3-10(19)22-6-5-18-8-16-11(9(15)7-14)12(18)17-13(20)21-4-2/h8H,3-6,15H2,1-2H3/b11-9+,17-12-