methyl 6-butyl-3,5-bis(iodanyl)-2-oxidanylidene-3-[(E)-2-phenylethenyl]-1,4-dihydropyridine-4-carboxylate

Systemtic Name: methyl 6-butyl-3,5-bis(iodanyl)-2-oxidanylidene-3-[(E)-2-phenylethenyl]-1,4-dihydropyridine-4-carboxylate Openeye Name: methyl 6-butyl-3,5-diiodo-2-oxo-3-[(E)-styryl]-1,4-dihydropyridine-4-carboxylate CAS Name: 6-butyl-3,5-diiodo-2-oxo-3-[(E)-2-phenylethenyl]-1,4-dihydropyridine-4-carboxylic acid methyl ester IUPAC Name: methyl 6-butyl-3,5-diiodo-2-oxo-3-[(E)-2-phenylethenyl]-1,4-dihydropyridine-4-carboxylate Traditional Name: 6-butyl-3,5-diiodo-2-keto-3-[(E)-styryl]-1,4-dihydropyridine-4-carboxylic acid methyl ester Formula: C19H21I2NO3 MolecularWeight: 565.18388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C(C(=O)N1)(C=CC2=CC=CC=C2)I)C(=O)OC)I

Isomeric SMILES

CCCCC1=C(C(C(C(=O)N1)(/C=C/C2=CC=CC=C2)I)C(=O)OC)I

InChI

InChI=1S/C19H21I2NO3/c1-3-4-10-14-16(20)15(17(23)25-2)19(21,18(24)22-14)12-11-13-8-6-5-7-9-13/h5-9,11-12,15H,3-4,10H2,1-2H3,(H,22,24)/b12-11+