ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(4-chloro-3-nitro-benzoyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H14ClFN4O6 MolecularWeight: 460.799763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14ClFN4O6/c1-2-32-20(29)18-15(10-17(27)25(24-18)13-6-4-12(22)5-7-13)23-19(28)11-3-8-14(21)16(9-11)26(30)31/h3-10H,2H2,1H3,(H,23,28)