ethyl 4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3-chloro-2,2-dimethyl-propanoyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(3-chloro-2,2-dimethyl-propanoyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C18H19ClFN3O4 MolecularWeight: 395.812563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C(C)(C)CCl)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C(C)(C)CCl)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19ClFN3O4/c1-4-27-16(25)15-13(21-17(26)18(2,3)10-19)9-14(24)23(22-15)12-7-5-11(20)6-8-12/h5-9H,4,10H2,1-3H3,(H,21,26)