ethyl 1-[6-(2-azanylidene-1-cyano-ethenyl)-4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-oxidanyl-3,4-dihydro-1H-pyridin-3-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[6-(2-azanylidene-1-cyano-ethenyl)-4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-oxidanyl-3,4-dihydro-1H-pyridin-3-yl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[4-(4-bromophenyl)-5-cyano-6-(1-cyano-2-imino-vinyl)-2-cyclopropyl-2-hydroxy-3,4-dihydro-1H-pyridin-3-yl]pyridin-1-ium-3-carboxylate CAS Name: 1-[4-(4-bromophenyl)-5-cyano-6-(1-cyano-2-iminoethenyl)-2-cyclopropyl-2-hydroxy-3,4-dihydro-1H-pyridin-3-yl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-bromophenyl)-5-cyano-6-(1-cyano-2-iminoethenyl)-2-cyclopropyl-2-hydroxy-3,4-dihydro-1H-pyridin-3-yl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[4-(4-bromophenyl)-5-cyano-6-(1-cyano-2-imino-vinyl)-2-cyclopropyl-2-hydroxy-3,4-dihydro-1H-pyridin-3-yl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C26H23BrN5O3+ MolecularWeight: 533.39652

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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/C26H23BrN5O3/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/h3-6,9-11,15,19,22,24,28,31,34H,2,7-8H2,1H3/q+1