[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-iodanylbenzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-iodanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H19IN2O3 MolecularWeight: 426.24883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C17H19IN2O3/c1-12(23-16(22)13-7-3-4-8-14(13)18)15(21)20-17(11-19)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,20,21)