ethyl 4-[(3-bromophenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(3-bromophenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3-bromobenzoyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(3-bromophenyl)-oxomethyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromobenzoyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(3-bromobenzoyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H15BrFN3O4 MolecularWeight: 460.253203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15BrFN3O4/c1-2-29-20(28)18-16(23-19(27)12-4-3-5-13(21)10-12)11-17(26)25(24-18)15-8-6-14(22)7-9-15/h3-11H,2H2,1H3,(H,23,27)