(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H14N4O4/c20-11-10-16(24)21-15-8-6-14(7-9-15)19(25)26-12-17-22-18(23-27-17)13-4-2-1-3-5-13/h1-9H,10,12H2,(H,21,24)