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

Systemtic Name: but-3-enyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-2-butan-2-yl-3-oxidanylidene-pyrazole-1-carboxylate Openeye Name: but-3-enyl 5-amino-4-(2,6-dichlorophenyl)-3-oxo-2-sec-butyl-pyrazole-1-carboxylate CAS Name: 5-amino-2-butan-2-yl-4-(2,6-dichlorophenyl)-3-oxo-1-pyrazolecarboxylic acid but-3-enyl ester IUPAC Name: but-3-enyl 5-amino-2-butan-2-yl-4-(2,6-dichlorophenyl)-3-oxopyrazole-1-carboxylate Traditional Name: 5-amino-4-(2,6-dichlorophenyl)-3-keto-2-sec-butyl-3-pyrazoline-1-carboxylic acid but-3-enyl ester Formula: C18H21Cl2N3O3 MolecularWeight: 398.28364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1C(=O)OCCC=C)N)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1C(=O)OCCC=C)N)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O3/c1-4-6-10-26-18(25)23-16(21)15(17(24)22(23)11(3)5-2)14-12(19)8-7-9-13(14)20/h4,7-9,11H,1,5-6,10,21H2,2-3H3