(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methoxy-2-oxidanyl-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c1-13-16(11-21)17(23(22-13)14-7-4-3-5-8-14)12-27-20(25)15-9-6-10-18(26-2)19(15)24/h3-10,24H,12H2,1-2H3