ethyl 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methoxy]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methoxy]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methoxy]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methoxy]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methoxy]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(3-nitrobenzyl)oxy-pyridazine-3-carboxylic acid ethyl ester Formula: C20H16FN3O6 MolecularWeight: 413.355943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O6/c1-2-29-20(26)19-17(30-12-13-4-3-5-16(10-13)24(27)28)11-18(25)23(22-19)15-8-6-14(21)7-9-15/h3-11H,2,12H2,1H3