methyl 4-cyano-2-[(4-iodophenyl)carbonylamino]-2-methyl-butanoate

Systemtic Name: methyl 4-cyano-2-[(4-iodophenyl)carbonylamino]-2-methyl-butanoate Openeye Name: methyl 4-cyano-2-[(4-iodobenzoyl)amino]-2-methyl-butanoate CAS Name: 4-cyano-2-[[(4-iodophenyl)-oxomethyl]amino]-2-methylbutanoic acid methyl ester IUPAC Name: methyl 4-cyano-2-[(4-iodobenzoyl)amino]-2-methylbutanoate Traditional Name: 4-cyano-2-[(4-iodobenzoyl)amino]-2-methyl-butyric acid methyl ester Formula: C14H15IN2O3 MolecularWeight: 386.18497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(=O)OC)NC(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CC(CCC#N)(C(=O)OC)NC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C14H15IN2O3/c1-14(8-3-9-16,13(19)20-2)17-12(18)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18)