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

Systemtic Name: but-3-ynyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carboxylate Openeye Name: but-3-ynyl 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 but-3-ynyl ester IUPAC Name: but-3-ynyl 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 but-3-ynyl ester Formula: C17H17Cl2N3O3 MolecularWeight: 382.24118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O3/c1-4-5-9-25-17(24)22-15(20)14(16(23)21(22)10(2)3)13-11(18)7-6-8-12(13)19/h1,6-8,10H,5,9,20H2,2-3H3