4-[2-[[2,4-bis(fluoranyl)phenyl]methyl]-3-nitro-5-oxidanylidene-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid

Systemtic Name: 4-[2-[[2,4-bis(fluoranyl)phenyl]methyl]-3-nitro-5-oxidanylidene-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid Openeye Name: 4-[2-[(2,4-difluorophenyl)methyl]-3-nitro-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid CAS Name: 4-[2-[(2,4-difluorophenyl)methyl]-3-nitro-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid IUPAC Name: 4-[2-[(2,4-difluorophenyl)methyl]-3-nitro-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid Traditional Name: 4-[2-(2,4-difluorobenzyl)-5-keto-3-nitro-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]benzoic acid Formula: C24H17F2N3O5 MolecularWeight: 465.405686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=NC(=C(C(=C3C(=O)N2C1)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-])CC5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CC2C3=NC(=C(C(=C3C(=O)N2C1)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-])CC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C24H17F2N3O5/c25-15-8-7-14(16(26)11-15)10-17-22(29(33)34)19(12-3-5-13(6-4-12)24(31)32)20-21(27-17)18-2-1-9-28(18)23(20)30/h3-8,11,18H,1-2,9-10H2,(H,31,32)