[2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-2-oxidanyl-3,4-dihydro-1H-pyridin-6-yl]-2-cyano-ethenylidene]azanide

Systemtic Name: [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-2-oxidanyl-3,4-dihydro-1H-pyridin-6-yl]-2-cyano-ethenylidene]azanide Openeye Name: [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-2-hydroxy-3,4-dihydro-1H-pyridin-6-yl]-2-cyano-ethenylidene]azanide CAS Name: [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(3-ethoxycarbonyl-1-pyridin-1-iumyl)-2-hydroxy-3,4-dihydro-1H-pyridin-6-yl]-2-cyanoethenylidene]azanide IUPAC Name: [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-2-hydroxy-3,4-dihydro-1H-pyridin-6-yl]-2-cyanoethenylidene]azanide Traditional Name: [2-[4-(4-bromophenyl)-3-(3-carbethoxypyridin-1-ium-1-yl)-5-cyano-2-cyclopropyl-2-hydroxy-3,4-dihydro-1H-pyridin-6-yl]-2-cyano-ethenylidene]azanide Formula: C26H22BrN5O3 MolecularWeight: 532.38858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)C2C(C(=C(NC2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)C2C(C(=C(NC2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrN5O3/c1-2-35-25(33)17-4-3-11-32(15-17)24-22(16-5-9-20(27)10-6-16)21(14-30)23(18(12-28)13-29)31-26(24,34)19-7-8-19/h3-6,9-11,15,19,22,24,31,34H,2,7-8H2,1H3