(4-nitrophenyl)methyl 1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxidanylidene-indazole-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxidanylidene-indazole-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxo-indazole-2-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxo-2-indazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazole-2-carboxylate Traditional Name: 1-(4-fluorobenzyl)-3-keto-5-methoxy-indazoline-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H18FN3O6 MolecularWeight: 451.403923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(N(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(N(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN3O6/c1-32-19-10-11-21-20(12-19)22(28)26(25(21)13-15-2-6-17(24)7-3-15)23(29)33-14-16-4-8-18(9-5-16)27(30)31/h2-12H,13-14H2,1H3