ethyl 4-(2-azanyl-4-chloranyl-phenyl)-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-4-chloranyl-phenyl)-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(2-amino-4-chloro-phenyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: 4-(2-amino-4-chlorophenyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-4-chlorophenyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 4-(2-amino-4-chloro-phenyl)-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1C2=C(C=C(C=C2)Cl)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1C2=C(C=C(C=C2)Cl)N)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN3O3/c1-2-25-18(24)16-15(13-9-8-11(19)10-14(13)20)17(23)22(21-16)12-6-4-3-5-7-12/h3-10,15H,2,20H2,1H3