(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-azanyl-4-fluoranyl-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C19H15FN4O2 MolecularWeight: 350.346403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=C(C=C(C=C2)F)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=C(C=C(C=C2)F)N)C3=CC=CC=C3

InChI

InChI=1S/C19H15FN4O2/c1-12-16(10-21)18(24(23-12)14-5-3-2-4-6-14)11-26-19(25)15-8-7-13(20)9-17(15)22/h2-9H,11,22H2,1H3