[2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-keto-ethyl] ester Formula: C30H25F2N3O5 MolecularWeight: 545.533406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H25F2N3O5/c1-18-24(5-3-7-26(18)35(38)39)30(37)40-17-27(36)34-29(20-10-14-23(32)15-11-20)25-6-2-4-21(28(25)33-34)16-19-8-12-22(31)13-9-19/h3,5,7-16,25,29H,2,4,6,17H2,1H3