methyl (Z)-2-cyano-3-(5-iodanyl-4-methyl-3-octyl-1H-pyrrol-2-yl)prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-(5-iodanyl-4-methyl-3-octyl-1H-pyrrol-2-yl)prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-(5-iodo-4-methyl-3-octyl-1H-pyrrol-2-yl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(5-iodo-4-methyl-3-octyl-1H-pyrrol-2-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-(5-iodo-4-methyl-3-octyl-1H-pyrrol-2-yl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(5-iodo-4-methyl-3-octyl-1H-pyrrol-2-yl)acrylic acid methyl ester Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=C1C)I)C=C(C#N)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=C(NC(=C1C)I)/C=C(/C#N)\C(=O)OC

InChI

InChI=1S/C18H25IN2O2/c1-4-5-6-7-8-9-10-15-13(2)17(19)21-16(15)11-14(12-20)18(22)23-3/h11,21H,4-10H2,1-3H3/b14-11-