methyl 2-azanyl-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-azanyl-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate Openeye Name: methyl 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate CAS Name: 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoic acid methyl ester Formula: C16H11F3N2O2 MolecularWeight: 320.26595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2O2/c1-23-15(22)12-6-11(10-4-2-9(8-20)3-5-10)13(7-14(12)21)16(17,18)19/h2-7H,21H2,1H3