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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN4O3/c1-12-15(10-22)18(25(24-12)13-6-4-3-5-7-13)11-28-20(26)14-8-16(21)17(23)9-19(14)27-2/h3-9H,11,23H2,1-2H3