ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-propanoyl-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-propanoyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-(2-amino-5-chloro-benzoyl)-2-propanoyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-2-(1-oxopropyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-5-chlorobenzoyl)-2-propanoyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-2-propionyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

Isomeric SMILES

CCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

InChI

InChI=1S/C16H18ClN3O4/c1-3-14(21)20-13(16(23)24-4-2)8-12(19-20)15(22)10-7-9(17)5-6-11(10)18/h5-7,13H,3-4,8,18H2,1-2H3