1H-imidazol-5-yl 3-aminocarbonyl-5-cyano-benzoate

Systemtic Name: 1H-imidazol-5-yl 3-aminocarbonyl-5-cyano-benzoate Openeye Name: 1H-imidazol-5-yl 3-carbamoyl-5-cyano-benzoate CAS Name: 3-carbamoyl-5-cyanobenzoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl 3-carbamoyl-5-cyanobenzoate Traditional Name: 3-carbamoyl-5-cyano-benzoic acid 1H-imidazol-5-yl ester Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)N)C(=O)OC2=CN=CN2)C#N

Isomeric SMILES

C1=C(C=C(C=C1C(=O)N)C(=O)OC2=CN=CN2)C#N

InChI

InChI=1S/C12H8N4O3/c13-4-7-1-8(11(14)17)3-9(2-7)12(18)19-10-5-15-6-16-10/h1-3,5-6H,(H2,14,17)(H,15,16)