methyl 4-[(4E)-4-[azanyl(cyano)methylidene]-5-azanylidene-imidazol-1-yl]benzoate

Systemtic Name: methyl 4-[(4E)-4-[azanyl(cyano)methylidene]-5-azanylidene-imidazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[amino(cyano)methylene]-5-imino-imidazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[amino(cyano)methylidene]-5-imino-1-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[amino(cyano)methylidene]-5-iminoimidazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-[amino(cyano)methylene]-5-imino-2-imidazolin-1-yl]benzoic acid methyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C=NC(=C(C#N)N)C2=N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C=N/C(=C(\C#N)/N)/C2=N

InChI

InChI=1S/C13H11N5O2/c1-20-13(19)8-2-4-9(5-3-8)18-7-17-11(12(18)16)10(15)6-14/h2-5,7,16H,15H2,1H3/b11-10+,16-12?