methyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carboxylate

Systemtic Name: methyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carboxylate Openeye Name: methyl 5-amino-4-(2,6-dichlorophenyl)-2-isopropyl-3-oxo-pyrazole-1-carboxylate CAS Name: 5-amino-4-(2,6-dichlorophenyl)-3-oxo-2-propan-2-yl-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(2,6-dichlorophenyl)-3-oxo-2-propan-2-ylpyrazole-1-carboxylate Traditional Name: 5-amino-4-(2,6-dichlorophenyl)-2-isopropyl-3-keto-3-pyrazoline-1-carboxylic acid methyl ester Formula: C14H15Cl2N3O3 MolecularWeight: 344.1932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(N1C(=O)OC)N)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(N1C(=O)OC)N)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C14H15Cl2N3O3/c1-7(2)18-13(20)11(12(17)19(18)14(21)22-3)10-8(15)5-4-6-9(10)16/h4-7H,17H2,1-3H3