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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O2/c1-12-15(10-21)18(24(23-12)14-5-3-2-4-6-14)11-26-19(25)13-7-8-16(20)17(22)9-13/h2-9H,11,22H2,1H3