phenacyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: phenacyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: phenacyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid phenacyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4/c19-11-10-17(22)20-15-8-6-14(7-9-15)18(23)24-12-16(21)13-4-2-1-3-5-13/h1-9H,10,12H2,(H,20,22)