(Z)-5-[(4-bromophenyl)amino]-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-oxidanylidene-4-pyridin-1-ium-1-yl-pent-1-en-1-olate

Systemtic Name: (Z)-5-[(4-bromophenyl)amino]-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-oxidanylidene-4-pyridin-1-ium-1-yl-pent-1-en-1-olate Openeye Name: (Z)-5-(4-bromoanilino)-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-oxo-4-pyridin-1-ium-1-yl-pent-1-en-1-olate CAS Name: (Z)-5-(4-bromoanilino)-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-oxo-4-(1-pyridin-1-iumyl)-1-penten-1-olate IUPAC Name: (Z)-5-(4-bromoanilino)-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-oxo-4-pyridin-1-ium-1-ylpent-1-en-1-olate Traditional Name: (Z)-5-(4-bromoanilino)-2-cyano-1-ethoxy-3-(2-fluorophenyl)-5-keto-4-pyridin-1-ium-1-yl-pent-1-en-1-olate Formula: C25H21BrFN3O3 MolecularWeight: 510.354943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(C1=CC=CC=C1F)C(C(=O)NC2=CC=C(C=C2)Br)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCO/C(=C(\C#N)/C(C1=CC=CC=C1F)C(C(=O)NC2=CC=C(C=C2)Br)[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C25H21BrFN3O3/c1-2-33-25(32)20(16-28)22(19-8-4-5-9-21(19)27)23(30-14-6-3-7-15-30)24(31)29-18-12-10-17(26)11-13-18/h3-15,22-23H,2H2,1H3,(H-,29,31,32)/b25-20+