methyl 4-[[(4-cyanophenyl)amino]methyl]benzoate; 1H-1,2,4-triazole

Systemtic Name: methyl 4-[[(4-cyanophenyl)amino]methyl]benzoate; 1H-1,2,4-triazole Openeye Name: methyl 4-[(4-cyanoanilino)methyl]benzoate; 1H-1,2,4-triazole CAS Name: 4-[(4-cyanoanilino)methyl]benzoic acid methyl ester; 1H-1,2,4-triazole IUPAC Name: methyl 4-[(4-cyanoanilino)methyl]benzoate; 1H-1,2,4-triazole Traditional Name: 4-[(4-cyanoanilino)methyl]benzoic acid methyl ester; 1H-1,2,4-triazole Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C#N.C1=NC=NN1

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C#N.C1=NC=NN1

InChI

InChI=1S/C16H14N2O2.C2H3N3/c1-20-16(19)14-6-2-13(3-7-14)11-18-15-8-4-12(10-17)5-9-15;1-3-2-5-4-1/h2-9,18H,11H2,1H3;1-2H,(H,3,4,5)