2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate tetrafluoroborate CAS Name: 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate tetrafluoroborate Traditional Name: 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C20H20BF4N5O5 MolecularWeight: 497.207913

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3C=C[N+](=C3)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3C=C[N+](=C3)C

InChI

InChI=1S/C20H20N5O5.BF4/c1-13-17(20(26)29-9-8-24-7-6-23(2)12-24)18(16(11-21)19(22)30-13)14-4-3-5-15(10-14)25(27)28;2-1(3,4)5/h3-7,10,12,18H,8-9,22H2,1-2H3;/q+1;-1